N-(3-hydroxyphenyl)formamide

• ChemBase ID: 233340
• Molecular Formular: C7H7NO2
• Molecular Mass: 137.13598
• Monoisotopic Mass: 137.04767847
• SMILES: C(=O)Nc1cc(O)ccc1
• Canonical SMILES: O=CNc1cccc(c1)O
• InChI: InChI=1S/C7H7NO2/c9-5-8-6-2-1-3-7(10)4-6/h1-5,10H,(H,8,9)
• InChIKey: HTMAQVFRFZZDGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-hydroxyphenyl)formamide
• IUPAC Traditional name: N-(3-hydroxyphenyl)formamide
• Synonyms: 3-hydroxyphenylformamide

Database IDs

• CAS Number: 24891-35-8
• MDL Number: MFCD03147263
• PubChem SID: 164289250
• PubChem CID: 2384379

CALCULATED PROPERTIES

• Acid pKa: 9.24201
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.85861397
• LogD (pH = 7.4): 0.852526
• Log P: 0.85869217
• Molar Refractivity: 38.4114 cm^3
• Polarizability: 13.981262 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 115 - 117°C
• Hydrophobicity(logP): 0.498

Product Information

• Purity: 95%