DL-Mandelic acid CAS NO.611-72-3

1. Introduction ofDL-Mandelic acid

The DL-Mandelic acid, with its CAS NO611-72-3, is a kind ofWhite crystal or crystalline powder. It has s

1. Introduction of DL-Mandelic acid

The DL-Mandelic acid, with its CAS NO 611-72-3, is a kind of White crystal crystalline powder. It has synonyms of DL-2-Hydroxy-2-phenylacetic acid (+/-)-alpha-Hydroxyphenylacetic acid. DL-Mandelic acid should be stored in shady cool warehouse.

 2. Properties of DL-Mandelic acid

(1) ACD/LogP: 0.55   (2) ACD/LogD (pH 5.5): -1.98  (3) ACD/LogD (pH 7.4): -3.12
(4) ACD/BCF (pH 5.5): 1.00  (5) ACD/BCF (pH 7.4): 1.00
(6) ACD/KOC (pH 5.5): 1.00  (7) ACD/KOC (pH 7.4): 1.00
(8) #H bond acceptors: 3   (9) #H bond donors: 2
(10) #Freely Rotating Bonds: 3   (11) Polar Surface Area: 57.53  2
(12) Index of Refraction: 1.591   (13) Molar Refractivity: 38.904 cm3
(14) Molar Volume: 115.131 cm3   (15) Polarizability: 15.423 10-24cm3
(16) Surface Tension: 60.4739990234375 dyne/cm   (17) Density: 1.322 g/cm3
(18) Flash Point: 162.649 °C   (19) Enthalpy of Vaporization: 59.501 kJ/mol
(20) Boiling Point: 321.827 °C at 760 mmHg

3. Structure descriptors of DL-Mandelic acid

IUPAC Name: 2-hydroxy-2-phenylacetic acid

InChI: InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)

InChIKey: IWYDHOAUDWTVEP-UHFFFAOYSA-N

Canonical SMILES : C1=CC=C(C=C1)C(C(=O)O)O