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33106-32-0

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Basic Information
CAS No.: 33106-32-0
Name: (S)-2-(Benzyloxy)propanoic acid
Article Data: 39
Molecular Structure:
Molecular Structure of 33106-32-0 ((S)-2-(Benzyloxy)propanoic acid)
Formula: C10H12O3
Molecular Weight: 180.203
Synonyms: (S)-2-Benzyloxypropionic acid;O-Benzyl(S)-lactic acid;O-Benzyl-L-lactic acid;Propanoic acid, 2-(phenylmethoxy)-, (S)-;(2S)-2-Benzyloxypropanoic acid;Propionic acid, 2-(benzyloxy)-, (S)-(-)- (8CI);
Density: 1.15 g/cm3
Boiling Point: 328.16 °C at 760 mmHg
Flash Point: 130.427 °C
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Specification

The (S)-(-)-O-Benzyllactic acid, with the CAS registry number 33106-32-0, is also known as Propanoic acid, 2-(phenylmethoxy)-, (S)-. This chemical's molecular formula is C10H12O3 and molecular weight is 180.20. What's more, its systematic name is (2S)-2-(Benzyloxy)propanoic acid.

Physical properties of (S)-(-)-O-Benzyllactic acid are: (1)ACD/LogP: 1.673; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.26; (4)ACD/LogD (pH 7.4): -1.82; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 2.26; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.53 Å2; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 48.336 cm3; (15)Molar Volume: 156.629 cm3; (16)Polarizability: 19.162×10-24cm3; (17)Surface Tension: 43.5 dyne/cm; (18)Density: 1.15 g/cm3; (19)Flash Point: 130.427 °C; (20)Enthalpy of Vaporization: 60.225 kJ/mol; (21)Boiling Point: 328.16 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](OCc1ccccc1)C
(2)Std. InChI: InChI=1S/C10H12O3/c1-8(10(11)12)13-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)/t8-/m0/s1
(3)Std. InChIKey: XWAVPOFYNPXXEL-QMMMGPOBSA-N