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CAS No.: | 182169-63-7 |
---|---|
Name: | 1-(4'-Methoxy[1,1'-biphenyl]-3-yl)ethanone |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C15H14O2 |
Molecular Weight: | 226.27 |
Synonyms: | 1-(4-METHOXY-BIPHENYL-3-YL)-ETHANONE;1-(4-METHOXY[1,1-BIPHENYL]-3-YL)ETHANONE;AKOS BAR-0239 |
Density: | 1.076 g/cm3 |
Boiling Point: | 383.4 °C at 760 mmHg |
Flash Point: | 175.5 °C |
Hazard Symbols: | Xi |
PSA: | 26.30000 |
LogP: | 3.56480 |
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This chemical is called 1-(4'-Methoxy[1,1'-biphenyl]-3-yl)ethanone, and it can also be named as Ethanone, 1-(4'-methoxy[1,1'-biphenyl]-3-yl)-. With the molecular formula of C15H14O2, its molecular weight is 226.27. The CAS registry number of this chemical is 182169-63-7.
Other characteristics of the 1-(4'-Methoxy[1,1'-biphenyl]-3-yl)ethanone can be summarised as followings: (1)ACD/LogP: 3.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.51; (4)ACD/LogD (pH 7.4): 3.51; (5)ACD/BCF (pH 5.5): 275.21; (6)ACD/BCF (pH 7.4): 275.21; (7)ACD/KOC (pH 5.5): 1940.5; (8)ACD/KOC (pH 7.4): 1940.5; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 67.55 cm3; (15)Molar Volume: 210.2 cm3; (16)Polarizability: 26.77×10-24cm3; (17)Surface Tension: 38.1 dyne/cm; (18)Density: 1.076 g/cm3; (19)Flash Point: 175.5 °C; (20)Enthalpy of Vaporization: 63.2 kJ/mol; (21)Boiling Point: 383.4 °C at 760 mmHg; (22)Vapour Pressure: 4.4E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(c2cc(c1ccc(OC)cc1)ccc2)C
2.InChI: InChI=1/C15H14O2/c1-11(16)13-4-3-5-14(10-13)12-6-8-15(17-2)9-7-12/h3-10H,1-2H3
3.InChIKey: KDQCXCHDEAQCRJ-UHFFFAOYAL