[1,1'-Biphenyl]-4-carboxylicacid, 2'-methoxy- supplier

Name
2'-METHOXY-BIPHENYL-4-CARBOXYLIC ACID
EINECS
CAS No. 5728-32-5
Article Data24
CAS DataBase
Density 1.193g/cm³
Solubility
Melting Point
Formula C₁₄H₁₂O₃
Boiling Point 370 °C at 760 mmHg
Molecular Weight 228.247
Flash Point 140.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 4-Biphenylcarboxylicacid, 2'-methoxy- (6CI,7CI,8CI);2'-Methoxy-4-biphenylcarboxylic acid;2'-Methoxy-[1,1'-biphenyl]-4-carboxylic acid;
PSA 46.53000
LogP 3.06040

[1,1'-Biphenyl]-4-carboxylicacid, 2'-methoxy- Specification

The [1,1'-Biphenyl]-4-carboxylicacid, 2'-methoxy-, with CAS registry number 5728-32-5, belongs to the following product category: Pharmacetical. It has the systematic name of 2'-methoxybiphenyl-4-carboxylic acid. And the chemical formula of this chemical is C₁₄H₁₂O₃.

Physical properties of [1,1'-Biphenyl]-4-carboxylicacid, 2'-methoxy-: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.1; (4)ACD/LogD (pH 7.4): 0.54; (5)ACD/BCF (pH 5.5): 11.28; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 83.5; (8)ACD/KOC (pH 7.4): 2.3; (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: 1.589; (14)Molar Refractivity: 64.45 cm³; (15)Molar Volume: 191.2 cm³; (16)Polarizability: 25.55×10^-24cm³; (17)Surface Tension: 46.5 dyne/cm; (18)Density: 1.193 g/cm³; (19)Flash Point: 140.4 °C; (20)Enthalpy of Vaporization: 65.08 kJ/mol; (21)Boiling Point: 370 °C at 760 mmHg; (22)Vapour Pressure: 3.95E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2ccc(c1ccccc1OC)cc2
(2)InChI: InChI=1/C14H12O3/c1-17-13-5-3-2-4-12(13)10-6-8-11(9-7-10)14(15)16/h2-9H,1H3,(H,15,16)
(3)InChIKey: YQLGXBYAHYGABI-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C14H12O3/c1-17-13-5-3-2-4-12(13)10-6-8-11(9-7-10)14(15)16/h2-9H,1H3,(H,15,16)
(5)Std. InChIKey: YQLGXBYAHYGABI-UHFFFAOYSA-N

Product Name

2'-METHOXY-BIPHENYL-4-CARBOXYLIC ACID

[1,1'-Biphenyl]-4-carboxylicacid, 2'-methoxy- Specification

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