Systematic Name: (2R)-(4-Chlorophenyl)(hydroxy)ethanoic acid
Synonyms of (R)-(-)-4-Chloromandelic acid (CAS NO.32189-36-9): (2R)-2-(4-Chlorophenyl)-2-hydroxyacetic acid ; (R)-2-(4-Chlorophenyl)-2-hydroxyethanoic acid
CAS NO: 32189-36-9
Molecular Formula: C8H7ClO3
Molecular Weight: 186.59
Molecular Structure:
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 3
Polar Surface Area: 35.53Å2
Index of Refraction: 1.605
Molar Refractivity: 43.79 cm3
Molar Volume: 127 cm3
Surface Tension: 62.2 dyne/cm
Density: 1.468 g/cm3
Flash Point: 172.4 °C
Melting point 108 ºC
Enthalpy of Vaporization: 64.07 kJ/mol
Boiling Point: 361.4 °C at 760 mmHg
Vapour Pressure: 7.43E-06 mmHg at 25°C
SMILES: Clc1ccc(cc1)[C@@H](O)C(=O)O
InChI: InChI=1/C8H7ClO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m1/s1
InChIKey: BWSFWXSSALIZAU-SSDOTTSWBE
Std. InChI: InChI=1S/C8H7ClO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m1/s1
Std. InChIKey: BWSFWXSSALIZAU-SSDOTTSWSA-N
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