(alphaS)-alpha-(1-Methylethyl)benzeneacetic acid (13490-69-2)

The (alphaS)-alpha-(1-Methylethyl)benzeneacetic acid with cas registry number of 13490-69-2, is also called (2S)-2-Phenyl-3-methylbutanoic acid ; (2S)-3-Methyl-2-phenylbutyric acid ; (S)-2-Phenyl-3-methylbutanoic acid .

Physical properties of (alphaS)-alpha-(1-Methylethyl)benzeneacetic acid :(1)ACD/LogP: 2.73; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 3.84; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 39.99; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3 Å²; (11)Index of Refraction: 1.523; (12)Molar Refractivity: 51.22 cm³; (13)Molar Volume: 167.5 cm³; (14)Polarizability: 20.3×10^-24cm³; (15)Surface Tension: 39.9 dyne/cm; (16)Enthalpy of Vaporization: 55.02 kJ/mol; (17)Vapour Pressure: 0.00163 mmHg at 25°C .

You can still convert the following datas into molecular structure: (1)SMILES:O=C(O)[C@H](c1ccccc1)C(C)C; (2)InChI:InChI=1/C11H14O2/c1-8(2)10(11(12)13)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,12,13)/t10-/m0/s1; (3)InChIKey:HDLQGISFYDYWFJ-JTQLQIEIBA; (4)Std. InChI:InChI=1S/C11H14O2/c1-8(2)10(11(12)13)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,12,13)/t10-/m0/s1; (5)Std. InChIKey:HDLQGISFYDYWFJ-JTQLQIEISA-N .