(2R)-2-hydroxy-2-phenylacetic acid

• ChemBase ID: 797402
• Molecular Formular: C8H8O3
• Molecular Mass: 152.14732
• Monoisotopic Mass: 152.04734412
• SMILES: O[C@@H](C(=O)O)c1ccccc1
• Canonical SMILES: O[C@H](c1ccccc1)C(=O)O
• InChI: InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m1/s1
• InChIKey: IWYDHOAUDWTVEP-SSDOTTSWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-hydroxy-2-phenylacetic acid
• IUPAC Traditional name: mandelic acid, (+-)-
• Synonyms: (R)-(-)-Mandelic acid

Database IDs

• CAS Number: 611-71-2

CALCULATED PROPERTIES

• Acid pKa: 3.7512336
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.85347056
• LogD (pH = 7.4): -2.3882656
• Log P: 0.89583564
• Molar Refractivity: 38.7038 cm^3
• Polarizability: 15.161119 Å^3
• Polar Surface Area: 57.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%