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CAS No.: | 60277-22-7 |
---|---|
Name: | (4'-METHOXY-BIPHENYL-4-YL)-ACETIC ACID |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C15H14O3 |
Molecular Weight: | 242.274 |
Synonyms: | 4-(4-methoxyphenyl)phenylacetic acid; |
Density: | 1.175 g/cm3 |
Boiling Point: | 422.9 °C at 760 mmHg |
Flash Point: | 160.3 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 46.53000 |
LogP: | 2.98930 |
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This chemical is called (4'-Methoxybiphenyl-4-yl)acetic acid, and its CAS registry number is 60277-22-7. With the molecular formula of C15H14O3, its molecular weight is 242.27.
Other characteristics of the (4'-Methoxybiphenyl-4-yl)acetic acid can be summarised as followings: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.89; (4)ACD/LogD (pH 7.4): 0.1; (5)ACD/BCF (pH 5.5): 8.35; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 73.12; (8)ACD/KOC (pH 7.4): 1.18; (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: 27.2×10-24cm3; (17)Surface Tension: 45.5 dyne/cm; (18)Density: 1.175 g/cm3; (19)Flash Point: 160.3 °C; (20)Enthalpy of Vaporization: 71.38 kJ/mol; (21)Boiling Point: 422.9 °C at 760 mmHg; (22)Vapour Pressure: 6.62E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)Cc2ccc(c1ccc(OC)cc1)cc2
2.InChI: InChI=1/C15H14O3/c1-18-14-8-6-13(7-9-14)12-4-2-11(3-5-12)10-15(16)17/h2-9H,10H2,1H3,(H,16,17)
3.InChIKey: KJOHEDXEFMKOEF-UHFFFAOYAN