N-(2-hydroxyphenyl)formamide

• ChemBase ID: 112409
• Molecular Formular: C7H7NO2
• Molecular Mass: 137.13598
• Monoisotopic Mass: 137.04767847
• SMILES: Oc1ccccc1NC=O
• Canonical SMILES: O=CNc1ccccc1O
• InChI: InChI=1S/C7H7NO2/c9-5-8-6-3-1-2-4-7(6)10/h1-5,10H,(H,8,9)
• InChIKey: DCGLLVNYKPKJDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-hydroxyphenyl)formamide
• IUPAC Traditional name: 2-carboxamidophenol
• Synonyms: O-FORMAMIDO PHENOL

Database IDs

• CAS Number: 2843-27-8
• PubChem SID: 162097544
• PubChem CID: 261527

CALCULATED PROPERTIES

• Acid pKa: 8.804386
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.8584781
• LogD (pH = 7.4): 0.84201604
• Log P: 0.85869217
• Molar Refractivity: 38.4114 cm^3
• Polarizability: 13.982462 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05223778

MP Biomedicals Rare Chemical collection