Structure Info
- Chemspace ID
- CSSS00011218118 (In-Stock Screening Compounds)
- CAS
- 5081-37-8
- MFCD
- MFCD00051967, MFCD01972639
- IUPAC Name
- methyl 3-methoxy-4-nitrobenzoate
- Mol formula
- C9H9NO5
- Mol weight
- 211 Da
- Catalog Number(s)
- 68593, 189293, 2059601, 5005398, 5081-37-8, A015001650, A488519, AA003RQ0, AB75796, AC035434, ACM5081378, AD04503, AG003RSS, AG188933, AJ75796, AOS003RSS, AR003SHS, ArZ-UP090004, BB027221, BB4LS-FA-0711, BBV-45063933, BD138713, BW1900, CB13728, CD12066989, CM344342, CS-W015063, CSC011218118, CSCR00002011486, CUS441550833, F210769, FA-0711, FM66884, HY-W014347, JH690959, LAN-B44232, LN00149739, LQT-B44316, M338453, OR14144, SAB-017132, SC-04913, SY007306, W6598, Z441374956, ZX-AE029705, s_1458_2560586_483916, s_1458____2560586____483916
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.76
- Heavy atoms count
- 15
- Rotatable bond count
- 4
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.22222222222222
- Polar surface area (Å)
- 79
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSSS00011218118
Items Overall 3 items from 1 supplier
Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
---|---|---|---|---|---|---|
Key Organics Limited (BIONET) | 10 days | United Kingdom To: | 95 | 1 mg | 42 | |
Key Organics Limited (BIONET) | 10 days | United Kingdom To: | 95 | 5 mg | 52 | |
Key Organics Limited (BIONET) | 10 days | United Kingdom To: | 95 | 10 mg | 70 |
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