2-(3-hydroxyphenyl)acetamide

• ChemBase ID: 265818
• Molecular Formular: C8H9NO2
• Molecular Mass: 151.16256
• Monoisotopic Mass: 151.06332853
• SMILES: C(=O)(Cc1cc(O)ccc1)N
• Canonical SMILES: NC(=O)Cc1cccc(c1)O
• InChI: InChI=1S/C8H9NO2/c9-8(11)5-6-2-1-3-7(10)4-6/h1-4,10H,5H2,(H2,9,11)
• InChIKey: MZAWZUUCGUEJLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-hydroxyphenyl)acetamide
• IUPAC Traditional name: 2-(3-hydroxyphenyl)acetamide
• Synonyms: 2-(3-hydroxyphenyl)acetamide

Database IDs

• MDL Number: MFCD06656129
• PubChem SID: 164321728
• PubChem CID: 15217898

CALCULATED PROPERTIES

• Acid pKa: 9.438108
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.50043637
• LogD (pH = 7.4): 0.4965495
• Log P: 0.5004862
• Molar Refractivity: 41.1687 cm^3
• Polarizability: 15.82583 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 114 - 116°C
• Hydrophobicity(logP): -0.213

Product Information

• Purity: 95%