2,4-dihydroxybenzamide

• ChemBase ID: 797387
• Molecular Formular: C7H7NO3
• Molecular Mass: 153.13538
• Monoisotopic Mass: 153.04259309
• SMILES: c1(c(cc(cc1)O)O)C(=O)N
• Canonical SMILES: Oc1ccc(c(c1)O)C(=O)N
• InChI: InChI=1S/C7H7NO3/c8-7(11)5-2-1-4(9)3-6(5)10/h1-3,9-10H,(H2,8,11)
• InChIKey: IIUJCQYKTGNRHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dihydroxybenzamide
• IUPAC Traditional name: 2,4-dihydroxybenzamide
• Synonyms: 2,4-DihydroxybenzaMide

Database IDs

• CAS Number: 3147-45-3

CALCULATED PROPERTIES

• Acid pKa: 8.059113
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.86556697
• LogD (pH = 7.4): 0.78066987
• Log P: 0.8667555
• Molar Refractivity: 39.0982 cm^3
• Polarizability: 14.437417 Å^3
• Polar Surface Area: 83.55 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%