3-Benzyloxyphenylacetic acid supplier

Name
(3-BENZYLOXY-PHENYL)-ACETIC ACID
EINECS
CAS No. 1860-58-8
Article Data27
CAS DataBase
Density 1.201g/cm³
Solubility
Melting Point 79-82°C
Formula C₁₅H₁₄O₃
Boiling Point 418.4 °C at 760 mmHg
Molecular Weight 242.274
Flash Point 158.3 °C
Transport Information
Appearance
Safety 26-39-61
Risk Codes Xn,N:;
Molecular Structure
Hazard Symbols R22-37/38-41-50:;
Synonyms 3-Benzyloxy phenyl acetic acid;
PSA 46.53000
LogP 2.89270

3-Benzyloxyphenylacetic acid Specification

The 3-Benzyloxyphenylacetic acid, with CAS registry number 1860-58-8, has the systematic name of [3-(benzyloxy)phenyl]acetic acid. And it is also called benzeneacetic acid, 3-(phenylmethoxy)-. And the chemical formula of this chemical is C₁₁H₁₀O₃.

Physical properties of 3-Benzyloxyphenylacetic acid: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.75; (4)ACD/LogD (pH 7.4): -0.03; (5)ACD/BCF (pH 5.5): 5.98; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 52.43; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 68.53 cm³; (15)Molar Volume: 201.5 cm³; (16)Polarizability: 27.16×10^-24cm³; (17)Surface Tension: 49.4 dyne/cm; (18)Enthalpy of Vaporization: 70.85 kJ/mol; (19)Vapour Pressure: 9.47E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)Cc2cc(OCc1ccccc1)ccc2
(2)InChI: InChI=1/C15H14O3/c16-15(17)10-13-7-4-8-14(9-13)18-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,16,17)
(3)InChIKey: LLZKAZNUCYYBQO-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C15H14O3/c16-15(17)10-13-7-4-8-14(9-13)18-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,16,17)
(5)Std. InChIKey: LLZKAZNUCYYBQO-UHFFFAOYSA-N

Product Name

(3-BENZYLOXY-PHENYL)-ACETIC ACID

3-Benzyloxyphenylacetic acid Specification

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