(2'-Methoxy-biphenyl-4-yl)-acetic acid supplier

Name
(2'-Methoxy-biphenyl-4-yl)-acetic acid
EINECS
CAS No. 5181-11-3
Article Data4
CAS DataBase
Density 1.175 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₄O₃
Boiling Point 388.4 °C at 760 mmHg
Molecular Weight 242.27
Flash Point 144.9 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 4-Biphenyl-(2'-methoxy)acetic acid;2-[4-(2-Methoxyphenyl)phenyl]acetic acid;
PSA 46.53000
LogP 2.98930

(2'-Methoxy-biphenyl-4-yl)-acetic acid Specification

The (2'-Methoxy-biphenyl-4-yl)-acetic acid, with the CAS registry number of 5181-11-3, is also known as 4-Biphenyl-(2'-methoxy)acetic acid. This chemical's molecular formula is C₁₅H₁₄O₃ and molecular weight is 242.27. What's more, its IUPAC name is 2-[4-(2-Methoxyphenyl)phenyl]acetic acid.

Physical properties about (2'-Methoxy-biphenyl-4-yl)-acetic acid are: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.7; (4)ACD/LogD (pH 7.4): -0.09; (5)ACD/BCF (pH 5.5): 5.83; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 55.02; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 68.63 cm³; (15)Molar Volume: 206.1 cm³; (16)Polarizability: 27.2×10^-24 cm³; (17)Surface Tension: 45.5 dyne/cm; (18)Density: 1.175 g/cm³; (19)Flash Point: 144.9 °C; (20)Enthalpy of Vaporization: 67.25 kJ/mol; (21)Boiling Point: 388.4 °C at 760 mmHg; (22)Vapour Pressure: 9.94E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)Cc2ccc(c1ccccc1OC)cc2
(2) InChI: InChI=1/C15H14O3/c1-18-14-5-3-2-4-13(14)12-8-6-11(7-9-12)10-15(16)17/h2-9H,10H2,1H3,(H,16,17)
(3) InChIKey: JZJOTHHEMRLHTF-UHFFFAOYAU

Product Name

(2'-Methoxy-biphenyl-4-yl)-acetic acid

(2'-Methoxy-biphenyl-4-yl)-acetic acid Specification

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