2-((2-Cyanophenyl)amino)-2-oxoacetic acid
Basic information
- CAS
61068-77-7- Standard SMILES
N#Cc1ccccc1NC(=O)C(=O)O- InChIKey
CUOCPSSQPCPPKY-UHFFFAOYSA-N- Molecular formula
- C9H6N2O3
- Average molar mass
- 190.16 g/mol
- Monoisotopic mass
- 190.03784206
Names & identifiers
- Preferred name
- 2-((2-Cyanophenyl)amino)-2-oxoacetic acid
- IUPAC
- 2-(2-cyanoanilino)-2-oxoacetic acid
Names & synonyms
61068-77-72-((2-cyanophenyl)amino)-2-oxoacetic acidAcetic acid, [(2-cyanophenyl)amino]oxo-(2-Cyanoanilino)(oxo)acetic acidCHEMBL3248233SCHEMBL11786623DTXSID605830012-(2-cyanoanilino)-2-oxo-acetic acidG63325
Database identifiers
- CAS
61068-77-7- PubChem CID
- 16112043
- DTXSID
DTXSID60583001- ChEMBL
CHEMBL3248233
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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