N-(4-hydroxyphenyl)formamide

• ChemBase ID: 233342
• Molecular Formular: C7H7NO2
• Molecular Mass: 137.13598
• Monoisotopic Mass: 137.04767847
• SMILES: C(=O)Nc1ccc(cc1)O
• Canonical SMILES: O=CNc1ccc(cc1)O
• InChI: InChI=1S/C7H7NO2/c9-5-8-6-1-3-7(10)4-2-6/h1-5,10H,(H,8,9)
• InChIKey: LHMWHZXZMMLYKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-hydroxyphenyl)formamide
• IUPAC Traditional name: N-(4-hydroxyphenyl)formamide
• Synonyms: 4-hydroxyphenylformamide

Database IDs

• CAS Number: 1693-39-6
• MDL Number: MFCD00021023
• PubChem SID: 164289252
• PubChem CID: 292510

CALCULATED PROPERTIES

• Acid pKa: 9.478516
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.8586468
• LogD (pH = 7.4): 0.8551036
• Log P: 0.85869217
• Molar Refractivity: 38.4114 cm^3
• Polarizability: 13.980527 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144 - 146°C
• Hydrophobicity(logP): 0.498

Product Information

• Purity: 95%