(2R)-2-phenylpropanoic acid

• ChemBase ID: 799587
• Molecular Formular: C9H10O2
• Molecular Mass: 150.1745
• Monoisotopic Mass: 150.06807956
• SMILES: C(=O)([C@H](C)c1ccccc1)O
• Canonical SMILES: C[C@H](c1ccccc1)C(=O)O
• InChI: InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/t7-/m1/s1
• InChIKey: YPGCWEMNNLXISK-SSDOTTSWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-phenylpropanoic acid
• IUPAC Traditional name: (-)-hydratropic acid
• Synonyms: (R)-2-phenylpropanoic acid; (R)-2-Phenyl-propionic acid

Database IDs

• CAS Number: 7782-26-5

CALCULATED PROPERTIES

• Acid pKa: 4.58787
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1927402
• LogD (pH = 7.4): -0.5826448
• Log P: 2.1539805
• Molar Refractivity: 41.9401 cm^3
• Polarizability: 16.357811 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%; 98%