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CAS No.: | 168618-47-1 |
---|---|
Name: | 2'-METHOXY-BIPHENYL-3-CARBOXYLIC ACID |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C14H12O3 |
Molecular Weight: | 228.247 |
Synonyms: | CHEMBRDG-BB 4400431;ASINEX-REAG BAS 07758868;2-METHOXY[1,1-BIPHENYL]-3-CARBOXYLIC ACID;2-METHOXY-BIPHENYL-3-CARBOXYLIC ACID;AKOS BAR-0013;3-BIPHENYL-(2-METHOXY)CARBOXYLIC ACID;TIMTEC-BB SBB007487;3-(2-Methoxyphenyl)benzoic acid |
Density: | 1.193 g/cm3 |
Melting Point: | 178-180 °C |
Boiling Point: | 387 °C at 760 mmHg |
Flash Point: | 148.1 °C |
Hazard Symbols: | Xi |
PSA: | 46.53000 |
LogP: | 3.06040 |
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The [1,1'-Biphenyl]-3-carboxylicacid, 2'-methoxy- is an organic compound with the formula C14H12O3. The systematic name of this chemical is 2'-Methoxybiphenyl-3-carboxylic acid. With the CAS registry number 168618-47-1, it is also named as 2'-Methoxy-[1,1'-biphenyl]-3-carboxylic acid. The product's category is Pharmacetical. Besides, its molecular weight is 228.24.
Physical properties about [1,1'-Biphenyl]-3-carboxylicacid, 2'-methoxy- are: (1)ACD/LogP: 3.50; (2)ACD/LogD (pH 5.5): 2.12; (3)ACD/LogD (pH 7.4): 0.6; (4)ACD/BCF (pH 5.5): 11.24; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 79.68; (7)ACD/KOC (pH 7.4): 2.38; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 35.53 Å2; (12)Index of Refraction: 1.589; (13)Molar Refractivity: 64.45 cm3; (14)Molar Volume: 191.2 cm3; (15)Polarizability: 25.55×10-24 cm3; (16)Surface Tension: 46.5 dyne/cm; (17)Density: 1.193 g/cm3; (18)Flash Point: 148.1 °C; (19)Enthalpy of Vaporization: 67.09 kJ/mol; (20)Boiling Point: 387 °C at 760 mmHg; (21)Vapour Pressure: 1.11E-06 mmHg at 25 °C
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C14H12O3/c1-17-13-8-3-2-7-12(13)10-5-4-6-11(9-10)14(15)16/h2-9H,1H3,(H,15,16)
(2)InChIKey: COUUHAJQLHMNJM-UHFFFAOYAD
(3)Std. InChI: InChI=1S/C14H12O3/c1-17-13-8-3-2-7-12(13)10-5-4-6-11(9-10)14(15)16/h2-9H,1H3,(H,15,16)
(4)Std. InChIKey: COUUHAJQLHMNJM-UHFFFAOYSA-N