5-{[Cyano(phenyl)methyl]amino}-2-hydroxybenzoic acid
Basic information
- CAS
64101-20-8- Standard SMILES
N#CC(Nc1ccc(O)c(C(=O)O)c1)c1ccccc1- InChIKey
QKCMXJUHELOKSW-UHFFFAOYSA-N- Molecular formula
- C15H12N2O3
- Average molar mass
- 268.27 g/mol
- Monoisotopic mass
- 268.08479225
Names & identifiers
- Preferred name
- 5-{[Cyano(phenyl)methyl]amino}-2-hydroxybenzoic acid
- IUPAC
- 5-[[cyano(phenyl)methyl]amino]-2-hydroxybenzoic acid
Names & synonyms
64101-20-85-{[Cyano(phenyl)methyl]amino}-2-hydroxybenzoic acidDTXSID50794907
Database identifiers
- CAS
64101-20-8- PubChem CID
- 71372007
- DTXSID
DTXSID50794907
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 384
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Compound notes
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