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(R)-2-Phenoxypropionic acid

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Name

(R)-2-Phenoxypropionic acid

EINECS N/A
CAS No. 1129-46-0 Density 1.174 g/cm3
PSA 46.53000 LogP 1.53850
Solubility N/A Melting Point 84-86 °C
Formula C9H10O3 Boiling Point 265 °C at 760 mmHg
Molecular Weight 166.177 Flash Point 112.7 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1129-46-0 ((R)-(+)-2-PHENOXYPROPIONIC ACID) Hazard Symbols R36/37/38:;
Synonyms

Propanoicacid, 2-phenoxy-, (R)-;Propionic acid, 2-phenoxy-, D- (8CI);(+)-2-Phenoxypropanoic acid;(+)-2-Phenoxypropionic acid;(2R)-2-Phenoxypropanoic acid;(R)-(+)-2-Phenoxypropionic acid;(R)-2-Phenoxypropanoic acid;(R)-2-Phenoxypropionic acid;

Article Data 26

(R)-2-Phenoxypropionic acid Specification

The (R)-2-Phenoxypropionic acid, with the CAS registry number 1129-46-0, has the systematic name of (2R)-2-phenoxypropanoic acid. It belongs to the category of Chiral Compounds. And the molecular formula of the chemical is C9H10O3.

The characteristics of (R)-2-Phenoxypropionic acid are as followings: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.58; (4)ACD/LogD (pH 7.4): -1.93; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.06; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 43.72 cm3; (15)Molar Volume: 141.4 cm3; (16)Polarizability: 17.33×10-24cm3; (17)Surface Tension: 43.2 dyne/cm; (18)Density: 1.174 g/cm3; (19)Flash Point: 112.7 °C; (20)Enthalpy of Vaporization: 53.13 kJ/mol; (21)Boiling Point: 265 °C at 760 mmHg; (22)Vapour Pressure: 0.00471 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the 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-/m1/s1
(3)InChIKey: SXERGJJQSKIUIC-SSDOTTSWBH

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