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| CAS No.: | 18110-71-9 |
|---|---|
| Name: | 4'-METHOXY-BIPHENYL-2-CARBOXYLIC ACID |
| Molecular Structure: | |
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| Formula: | C14H12O3 |
| Molecular Weight: | 228.247 |
| Synonyms: | 2-Biphenylcarboxylicacid, 4'-methoxy- (8CI);2-(4-Methoxyphenyl)benzoic acid;2-(p-Methoxyphenyl)benzoic acid;4'-Methoxy-1,1'-biphenyl-2-carboxylic acid;4'-Methoxy-2-biphenylcarboxylic acid;NSC 105633; |
| Density: | 1.193g/cm3 |
| Boiling Point: | 379.3 °C at 760 mmHg |
| Flash Point: | 144.6 °C |
| Hazard Symbols: |
 Xi
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| PSA: | 46.53000 |
| LogP: | 3.06040 |
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Specification
The CAS register number of [1,1'-Biphenyl]-2-carboxylicacid, 4'-methoxy- is 18110-71-9. It also can be called as 2-(4-Methoxyphenyl)benzoic acid and the systematic name about this chemical is 4'-methoxybiphenyl-2-carboxylic acid. The molecular formula about this chemical is C14H12O3 and the molecular weight is 228.24.
Physical properties about [1,1'-Biphenyl]-2-carboxylicacid, 4'-methoxy- are: (1)ACD/LogP: 2.81; (2)ACD/LogD (pH 5.5): 1.19; (3)ACD/BCF (pH 5.5): 1.92; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 19.21; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 35.53 Å2; (11)Index of Refraction: 1.589; (12)Molar Refractivity: 64.45 cm3; (13)Molar Volume: 191.2 cm3; (14)Polarizability: 25.55x10-24cm3; (15)Surface Tension: 46.5 dyne/cm; (16)Density: 1.193 g/cm3; (17)Flash Point: 144.6 °C; (18)Enthalpy of Vaporization: 66.17 kJ/mol; (19)Boiling Point: 379.3 °C at 760 mmHg; (20)Vapour Pressure: 1.98E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2c(c1ccc(OC)cc1)cccc2
(2)InChI: InChI=1/C14H12O3/c1-17-11-8-6-10(7-9-11)12-4-2-3-5-13(12)14(15)16/h2-9H,1H3,(H,15,16)
(3)InChIKey: IPLPMLYQQDEHHD-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C14H12O3/c1-17-11-8-6-10(7-9-11)12-4-2-3-5-13(12)14(15)16/h2-9H,1H3,(H,15,16)
(5)Std. InChIKey: IPLPMLYQQDEHHD-UHFFFAOYSA-N