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1912-23-8

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Basic Information
CAS No.: 1912-23-8
Name: (S)-(-)-2-PHENOXYPROPIONIC ACID
Article Data: 18
Molecular Structure:
Molecular Structure of 1912-23-8 ((S)-(-)-2-PHENOXYPROPIONIC ACID)
Formula: C9H10O3
Molecular Weight: 166.177
Synonyms: (-)-2-Phenoxypropionic acid;Propionic acid, 2-phenoxy-, L-(-)- (8CI);Propanoicacid, 2-phenoxy-, (S)-;(-)-2-Phenoxypropanoic acid;(S)-(-)-2-Phenoxypropanoic acid;(S)-2-Phenoxypropanoic acid;S-2-Phenoxypropionic acid;
EINECS: 213-370-5
Density: 1.174 g/cm3
Boiling Point: 265 °C at 760 mmHg
Flash Point: 112.7 °C
PSA: 46.53000
LogP: 1.53850
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Specification

The Propanoic acid,2-phenoxy-, (2S)-, with the CAS registry number 1912-23-8, is also known as S-2-Phenoxypropionic acid.This chemical's molecular formula is C9H10O3 and molecular weight is 166.17. What's more, its systematic name is (2S)-2-Phenoxypropanoic acid.

Physical properties about Propanoic acid,2-phenoxy-, (2S)-: (1) ACD/LogP: 1.69; (2) # of Rule of 5 Violations: 0; (3) ACD/BCF (pH 5.5): 1; (4) ACD/BCF (pH 7.4): 1; (5) ACD/KOC (pH 5.5): 1.06; (6) ACD/KOC (pH 7.4): 1; (7) #H bond acceptors: 3; (8) #H bond donors: 1; (9) #Freely Rotating Bonds: 3; (10) Polar Surface Area: 35.53 Å2; (11) Index of Refraction: 1.53; (12) Molar Refractivity: 43.72 cm3; (13) Molar Volume: 141.4 cm3; (14) Surface Tension: 43.2 dyne/cm; (15) Density: 1.174 g/cm3; (16) Flash Point: 112.7 °C; (17) Enthalpy of Vaporization: 53.13 kJ/mol; (18) Boiling Point: 265 °C at 760 mmHg; (19) Vapour Pressure: 0.00471 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@H](Oc1ccccc1)C
(2) InChI: InChI=1/C9H10O3/c1-7(9(10)11)12-8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/t7-/m0/s1
(3) InChIKey: SXERGJJQSKIUIC-ZETCQYMHBJ