Benzeneacetic acid,4-methoxy-alpha-phenyl- supplier

Name
2-(4-METHOXYPHENYL)-2-PHENYLACETIC ACID
EINECS
CAS No. 21749-83-7
Article Data10
CAS DataBase
Density 1.183g/cm³
Solubility
Melting Point 104-108 °C
Formula C₁₅H₁₄O₃
Boiling Point 389.6°C at 760 mmHg
Molecular Weight 242.274
Flash Point 145.4°C
Transport Information
Appearance
Safety 45-61
Risk Codes 25-50
Molecular Structure
Hazard Symbols Xi
Synonyms alpha-(4-Methoxyphenyl)phenylacetic acid;
PSA 46.53000
LogP 2.91170

Benzeneacetic acid,4-methoxy-alpha-phenyl- Specification

The Benzeneacetic acid,4-methoxy-alpha-phenyl-, with the CAS registry number of 21749-83-7, is also known as alpha-(4-Methoxyphenyl)phenylacetic acid. This chemical's molecular formula is C₁₅H₁₄O₃ and molecular weight is 242.27. What's more, its IUPAC name is 2-(4-Methoxyphenyl)-2-phenylacetic acid.

Physical properties about the Benzeneacetic acid,4-methoxy-alpha-phenyl- are: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.62; (4)ACD/BCF (pH 5.5): 4.26; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 35.73; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 35.53 Å²; (12)Index of Refraction: 1.583; (13)Molar Refractivity: 68.44 cm³; (14)Molar Volume: 204.7 cm³; (15)Surface Tension: 46.7 dyne/cm; (16)Density: 1.183 g/cm³; (17)Flash Point: 145.4 °C; (18)Enthalpy of Vaporization: 67.39 kJ/mol; (19)Boiling Point: 389.6 °C at 760 mmHg; (20)Vapour Pressure: 9.12E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(c1ccc(OC)cc1)c2ccccc2
(2) InChI: InChI=1/C15H14O3/c1-18-13-9-7-12(8-10-13)14(15(16)17)11-5-3-2-4-6-11/h2-10,14H,1H3,(H,16,17)
(3) InChIKey: LLILURMTCOXPIU-UHFFFAOYAK

Product Name

2-(4-METHOXYPHENYL)-2-PHENYLACETIC ACID

Benzeneacetic acid,4-methoxy-alpha-phenyl- Specification

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