[1,1'-Biphenyl]-3-carboxylicacid, 3'-methoxy- supplier

Name
3'-METHOXY-BIPHENYL-3-CARBOXYLIC ACID
EINECS
CAS No. 168618-45-9
Density 1.193g/cm³
Solubility
Melting Point
Formula C₁₄H₁₂O₃
Boiling Point 417.3 °C at 760 mmHg
Molecular Weight 228.247
Flash Point 161.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3-(3-Methoxyphenyl)benzoicacid;3'-Methoxybiphenyl-3-carboxylic acid;
PSA 46.53000
LogP 3.06040

[1,1'-Biphenyl]-3-carboxylicacid, 3'-methoxy- Specification

The [1,1'-Biphenyl]-3-carboxylicacid, 3'-methoxy-, with CAS registry number 168618-45-9, belongs to the following product category: Pharmacetical. It has the systematic name of 3'-methoxybiphenyl-3-carboxylic acid. And the chemical formula of this chemical is C₁₄H₁₂O₃.

Physical properties of [1,1'-Biphenyl]-3-carboxylicacid, 3'-methoxy-: (1)ACD/LogP: 3.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.2; (4)ACD/LogD (pH 7.4): 0.69; (5)ACD/BCF (pH 5.5): 12.81; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 86.39; (8)ACD/KOC (pH 7.4): 2.65; (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: 161.7 °C; (20)Enthalpy of Vaporization: 70.71 kJ/mol; (21)Boiling Point: 417.3 °C at 760 mmHg; (22)Vapour Pressure: 1.04E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2cc(c1cc(OC)ccc1)ccc2
(2)InChI: InChI=1/C14H12O3/c1-17-13-7-3-5-11(9-13)10-4-2-6-12(8-10)14(15)16/h2-9H,1H3,(H,15,16)
(3)InChIKey: JFPVSZXZHHOWMI-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C14H12O3/c1-17-13-7-3-5-11(9-13)10-4-2-6-12(8-10)14(15)16/h2-9H,1H3,(H,15,16)
(5)Std. InChIKey: JFPVSZXZHHOWMI-UHFFFAOYSA-N

Product Name

3'-METHOXY-BIPHENYL-3-CARBOXYLIC ACID

[1,1'-Biphenyl]-3-carboxylicacid, 3'-methoxy- Specification

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