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CAS No.: | 108478-56-4 |
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Name: | (3'-METHOXY-BIPHENYL-2-YL)-ACETIC ACID |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C15H14O3 |
Molecular Weight: | 242.27 |
Synonyms: | Aceticacid, 3'-methoxy-2-biphenylyl- (6CI);(3'-Methoxybiphenyl-2-yl)acetic acid;2-Biphenyl-(3'-methoxy)acetic acid; |
Density: | 1.175 g/cm3 |
Boiling Point: | 427.7 °C at 760 mmHg |
Flash Point: | 162.4 °C |
PSA: | 46.53000 |
LogP: | 2.98930 |
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This chemical is called [1,1'-Biphenyl]-2-aceticacid, 3'-methoxy-, and it can also be named as (3'-Methoxy-biphenyl-2-yl)-acetic acid. With the molecular formula of C15H14O3, its molecular weight is 242.27. The CAS registry number of this chemical is 108478-56-4, and its systematic name is (3'-Methoxybiphenyl-2-yl)acetic acid.
Other characteristics of the [1,1'-Biphenyl]-2-aceticacid, 3'-methoxy- can be summarised as followings: (1)ACD/LogP: 3.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.74; (4)ACD/LogD (pH 7.4): -0.03; (5)ACD/BCF (pH 5.5): 6.13; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 55; (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: 162.4 °C; (20)Enthalpy of Vaporization: 71.97 kJ/mol; (21)Boiling Point: 427.7 °C at 760 mmHg; (22)Vapour Pressure: 4.47E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)Cc2c(c1cc(OC)ccc1)cccc2
2.InChI: InChI=1/C15H14O3/c1-18-13-7-4-6-11(9-13)14-8-3-2-5-12(14)10-15(16)17/h2-9H,10H2,1H3,(H,16,17)
3.InChIKey: BWFLKFVOJFTSQU-UHFFFAOYAP