2-[1-(2H-1,3-benzodioxol-5-yl)ethylidene]propanedinitrile
Structure Info
- Chemspace ID
- CSSB00000183138 (In-Stock Building Blocks)
- CAS
- 301357-18-6
- MFCD
- MFCD00447472, MFCD00447472
- IUPAC Name
- 2-[1-(2H-1,3-benzodioxol-5-yl)ethylidene]propanedinitrile
- Mol formula
- C12H8N2O2
- Mol weight
- 212 Da
- Catalog Number(s)
- 10T-0216, 5142143, AA00IN3Q, AGN-PC-0WAPTJ, AGNPC-0WAPTJ, AI69650, BBV-69392190, BMA35718, CS-0304969, CSC000183138, IBS-L0221459, PB56963190, PBMR369579, ST00IONA, TX00IOC6, Z56885722
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- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.1
- Heavy atoms count
- 16
- Rotatable bond count
- 1
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.166
- Polar surface area (Å)
- 66
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
![Chemical structure of 2-[1-(2H-1,3-benzodioxol-5-yl)ethylidene]propanedinitrile (C12H8N2O2) - CSSB00000183138](/st/structure/200/e636dfffba41428d1050f778eddf59a4/CC%2528%253DC%2528C%2523N%2529C%2523N%2529C1%253DCC%253DC2OCOC2%253DC1.png "C12H8N2O2")
- Zoom the structure
- CSSB00000183138
Items Overall 5 items from 2 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Key Organics Limited (BIONET) | 10 days | United Kingdom To: | 90 | 500 mg | 566.50 | |
| 1st Scientific LLC | 14 days | United States To: | 90 | 1 mg | 206.80 | |
| 1st Scientific LLC | 14 days | United States To: | 90 | 5 mg | 217.80 | |
| 1st Scientific LLC | 14 days | United States To: | 90 | 10 mg | 239.80 | |
| 1st Scientific LLC | 14 days | United States To: | 90 | 500 mg | 792.00 | |
Description: 2-[1-(1,3-benzodioxol-5-yl)ethylidene]malononitrile; CAS: 301357-18-6 | ||||||
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Substructure Analogs
![Chemical structure of 2-[1-(2H-1,3-benzodioxol-5-yl)-3-(dimethylamino)prop-2-en-1-ylidene]propanedinitrile - CSSB02125602688](/st/structure/200/6083c0759a14bf64b8a3dc31b7dc1316/CN%2528C%2529C%253DCC%2528%253DC%2528C%2523N%2529C%2523N%2529C1%253DCC%253DC2OCOC2%253DC1.png)
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