3-(4-hydroxyphenyl)benzoic acid

• ChemBase ID: 310533
• Molecular Formular: C13H10O3
• Molecular Mass: 214.2167
• Monoisotopic Mass: 214.06299418
• SMILES: C(=O)(c1cc(c2ccc(cc2)O)ccc1)O
• Canonical SMILES: Oc1ccc(cc1)c1cccc(c1)C(=O)O
• InChI: InChI=1S/C13H10O3/c14-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(15)16/h1-8,14H,(H,15,16)
• InChIKey: WINNQOZTIDYENK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-hydroxyphenyl)benzoic acid
• IUPAC Traditional name: 3-(4-hydroxyphenyl)benzoic acid
• Synonyms: 4'-hydroxybiphenyl-3-carboxylic acid

Database IDs

• CAS Number: 121629-21-8
• MDL Number: MFCD01910126

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.464309
• LogD (pH = 7.4): -0.18637659
• Log P: 2.9744887
• Molar Refractivity: 60.4313 cm^3
• Polarizability: 24.204699 Å^3
• Polar Surface Area: 57.53 Å^2