3-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaen-2-one
Structure Info
- Chemspace ID
- CSSB00000030230 (In-Stock Building Blocks)
- CAS
- 518-86-5
- MFCD
- MFCD00138509, MFCD00138509
- IUPAC Name
- 3-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaen-2-one
- Mol formula
- C12H8O2
- Mol weight
- 184 Da
- Catalog Number(s)
- 1326-1318, 4C-112, 7119850479, A780849, AA00DXFY, ACSODP198, AF-962/02766058, AG00DXIQ, AG49770, AKOS002384460, AO49770, AR00DY7Q, ArZ-UP365603, BBV-38266793, BD359238, CSC000030230, CUS277644051, EC00DZOI, FCH831286, G70962, OR32710, OSSK_695846, P7119850479, PBMR162138, ST00DYZI, SY287879, TX00DYOE, U110913, Y1104352, Y4290601, ZXC138739
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.52
- Heavy atoms count
- 14
- Rotatable bond count
- 0
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.083
- Polar surface area (Å)
- 26
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 0
![Chemical structure of 3-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaen-2-one (C12H8O2) - CSSB00000030230](/st/structure/200/16c8b2de6ea7b64fa15a542372cff66d/O%253DC1OCC2%253DCC%253DCC3%253DCC%253DCC1%253DC23.png "C12H8O2")
- Zoom the structure
- CSSB00000030230
Items Overall 37 items from 11 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| BLD PHARMATECH LTD CN | 7 days | China To: | 95 | 100 mg | 99.00 | |
| BLD PHARMATECH LTD CN | 7 days | China To: | 95 | 250 mg | 166.00 | |
| BLD PHARMATECH LTD CN | 7 days | China To: | 95 | 1 g | 454.00 | |
| BLD PHARMATECH LTD CN | 7 days | China To: | 95 | 5 g | 2,056.00 | |
Description: Name:Benzo[de]isochromen-1(3H)-one; CAS: 518-86-5 | ||||||
| 1st Scientific CN | 7 days | China To: | 95 | 100 mg | 103.40 | |
| 1st Scientific CN | 7 days | China To: | 95 | 250 mg | 174.90 | |
| 1st Scientific CN | 7 days | China To: | 95 | 1 g | 471.90 | |
Description: Benzo[de]isochromen-1(3H)-one; CAS: 518-86-5 | ||||||
| AiFChem CN | 10 days | China To: | 95 | 100 mg | 95.00 | |
| AiFChem CN | 10 days | China To: | 95 | 250 mg | 158.00 | |
| AiFChem CN | 10 days | China To: | 95 | 1 g | 433.00 | |
| AiFChem CN | 10 days | China To: | 95 | 5 g | 1,957.00 | |
Description: Benzo[de]isochromen-1(3H)-one; Hazard statement: H302, H315, H319; CAS: 518-86-5 | ||||||
| Angene International Limited | 10 days | China To: | 95 | 100 mg | 154.80 | |
| Angene International Limited | 10 days | China To: | 95 | 250 mg | 261.90 | |
| Angene International Limited | 10 days | China To: | 95 | 1 g | 698.40 | |
| Angene International Limited | 10 days | China To: | 95 | 5 g | 2,787.30 | |
Description: Benzo[de]isochromen-1(3H)-one; CAS: 518-86-5 | ||||||
| Key Organics Limited (BIONET) | 10 days | United Kingdom To: | 90 | 250 mg | 177.10 | |
| Key Organics Limited (BIONET) | 10 days | United Kingdom To: | 90 | 1 g | 798.60 | |
| Astatech CN | 10 days | China To: | 95 | 100 mg | 237.60 | |
| Astatech CN | 10 days | China To: | 95 | 250 mg | 475.20 | |
| Astatech CN | 10 days | China To: | 95 | 1 g | 949.30 | |
Description: BENZO[DE]ISOCHROMEN-1(3H)-ONE; CAS: 518-86-5 | ||||||
| Advanced ChemBlocks CN | 10 days | China To: | 97 | 1 g | 350.00 | |
| Advanced ChemBlocks CN | 10 days | China To: | 97 | 5 g | 1,270.00 | |
Description: 3H-2-Oxa-1H-phenalene-1-one; CAS: 518-86-5 | ||||||
| Ambeed CN | 12 days | China To: | 95 | 100 mg | 89.10 | |
| Ambeed CN | 12 days | China To: | 95 | 250 mg | 149.40 | |
| Ambeed CN | 12 days | China To: | 95 | 1 g | 408.60 | |
| Ambeed CN | 12 days | China To: | 95 | 5 g | 1,850.40 | |
Description: Name: Benzo[de]isochromen-1(3H)-one; CAS: 518-86-5 | ||||||
| A2B Chem | 12 days | United States To: | 95 | 100 mg | 143.75 | |
| A2B Chem | 12 days | United States To: | 95 | 250 mg | 243.80 | |
| A2B Chem | 12 days | United States To: | 95 | 1 g | 656.65 | |
Description: Benzo[de]isochromen-1(3H)-one; CAS: 518-86-5 | ||||||
| Aaron Chemicals LLC | 12 days | United States To: | 95 | 100 mg | 178.25 | |
| Aaron Chemicals LLC | 12 days | United States To: | 95 | 250 mg | 303.60 | |
| Aaron Chemicals LLC | 12 days | United States To: | 95 | 1 g | 561.20 | |
| Aaron Chemicals LLC | 12 days | United States To: | 95 | 5 g | 2,018.25 | |
| Accel Scientific, S.L. | 20 days | China To: | 95 | 100 mg | 173.80 | |
| Accel Scientific, S.L. | 20 days | China To: | 95 | 250 mg | 294.80 | |
| Accel Scientific, S.L. | 20 days | China To: | 95 | 1 g | 786.50 | |
| Accel Scientific, S.L. | 20 days | China To: | 95 | 5 g | 3,135.00 | |
Description: Benzo[de]isochromen-1(3H)-one; CAS: 518-86-5 | ||||||
For a custom pack size or bulk
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Substructure Analogs
![Chemical structure of 3-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione - CSSB00000210472](/st/structure/200/005d4665ae51f260df46073103d62955/O%253DC1OC%2528%253DO%2529C2%253DC3C%2528C%253DCC%253DC13%2529%253DCC%253DC2.png)
![Chemical structure of 8-amino-3-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione - CSSB00000029779](/st/structure/200/8af28c7d609c7fbfdf7909493073387e/NC1%253DCC%253DC2C%2528%253DO%2529OC%2528%253DO%2529C3%253DC2C1%253DCC%253DC3.png)
![Chemical structure of 7-hydroxy-3-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione - CSSB00000030283](/st/structure/200/32fc07226bb2df8c19efc7898a32c0fe/OC1%253DCC2%253DCC%253DCC3%253DC2C%2528%253DC1%2529C%2528%253DO%2529OC3%253DO.png)
![Chemical structure of 8-hydroxy-3-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione - CSSB00000029116](/st/structure/200/a4ba1527ba9dcbd0ae88a0cb15624656/OC1%253DCC%253DC2C%2528%253DO%2529OC%2528%253DO%2529C3%253DC2C1%253DCC%253DC3.png)
![Chemical structure of 8-chloro-3-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione - CSSB00000029786](/st/structure/200/6b0e8ecfa1c7d85d47b88f5363e51eed/ClC1%253DCC%253DC2C%2528%253DO%2529OC%2528%253DO%2529C3%253DC2C1%253DCC%253DC3.png)
![Chemical structure of 7-bromo-3-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione - CSSB00009812371](/st/structure/200/09c7699eb02e843045219f22aed81982/BrC1%253DCC2%253DCC%253DCC3%253DC2C%2528%253DC1%2529C%2528%253DO%2529OC3%253DO.png)
![Chemical structure of 8-bromo-3-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione - CSSB00000691027](/st/structure/200/4feecdb248d6d6dd80a74cda992de382/BrC1%253DCC%253DC2C%2528%253DO%2529OC%2528%253DO%2529C3%253DC2C1%253DCC%253DC3.png)
Similarity Analogs
![Chemical structure of 2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-1(11),4(12),5,7,9-pentaen-3-one - CSSB00000075391](/st/structure/200/d7bbc90c0fd6d8f34f7dd1b2b4d32f10/O%253DC1OC2%253DCC%253DCC3%253DCC%253DCC1%253DC23.png)
![Chemical structure of 9-oxatricyclo[9.4.0.0²,⁷]pentadeca-1(15),2,4,6,11,13-hexaen-8-one - CSSB00000051532](/st/structure/200/9015354dc802d636f7362d23cbb766d5/O%253DC1OCC2%253DCC%253DCC%253DC2C2%253DCC%253DCC%253DC12.png)
