2-(2-Cyanoacetamido)benzoic acid
2-[(2-cyanoacetyl)amino]benzoic acid
Also Known As: 2-(2-cyanoacetamido)benzoic acid|Enamine_005190|2-(2-Cyano-acetylamino)-benzoic acid|2-[(2-cyanoacetyl)amino]benzoic acid|2-(2-cyanoacetamido)benzoicacid|2-[(Cyanoacetyl)amino]benzoic acid|2-[(2-cyanoacetyl)amino]benzoate|Benzoic acid, 2-[(cyanoacetyl)amino]-|IDI1_007777|Benzoic acid, 2-[(cyanoacetyl)amino]- (9CI)|BENZOIC ACID,2-[(2-CYANOACETYL)AMINO]-
CAS: 87613-40-9
| Molecular Formula | C10H8N2O3 |
|---|---|
| Molecular Weight | 204.0535 g/mol |
| LogP | 1.23698 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.0535 |
| Monoisotopic Mass | 204.0535 |
| Heavy Atoms | 15 |
| Complexity | 434.5388 |
Chemical Identifiers
| CAS Number | 87613-40-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC(=O)CC#N |
Product Overview
2-(2-Cyanoacetamido)benzoic acid (CAS 87613-40-9), with molecular formula C10H8N2O3 and molecular weight 204.0535 g/mol. IUPAC: 2-[(2-cyanoacetyl)amino]benzoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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