2-hydroxy-4-methoxybenzamide

• ChemBase ID: 239697
• Molecular Formular: C8H9NO3
• Molecular Mass: 167.16196
• Monoisotopic Mass: 167.05824315
• SMILES: c1(c(cc(cc1)OC)O)C(=O)N
• Canonical SMILES: COc1ccc(c(c1)O)C(=O)N
• InChI: InChI=1S/C8H9NO3/c1-12-5-2-3-6(8(9)11)7(10)4-5/h2-4,10H,1H3,(H2,9,11)
• InChIKey: BCYRZPCPWKCINY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-4-methoxybenzamide
• IUPAC Traditional name: 2-hydroxy-4-methoxybenzamide
• Synonyms: 2-hydroxy-4-methoxybenzamide

Database IDs

• CAS Number: 6745-77-3
• MDL Number: MFCD03840504
• PubChem SID: 164295607
• PubChem CID: 4868377

CALCULATED PROPERTIES

• Acid pKa: 8.126404
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.011632
• LogD (pH = 7.4): 0.9385413
• Log P: 1.0126495
• Molar Refractivity: 43.5805 cm^3
• Polarizability: 16.329954 Å^3
• Polar Surface Area: 72.55 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 145 - 147°C
• Hydrophobicity(logP): 1.338

Product Information

• Purity: 95%