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Basic Information
CAS No.: 76650-29-8
Name: 1-(3'-METHYL[1,1'-BIPHENYL]-4-YL)ETHANONE
Article Data: 44
Molecular Structure:
Molecular Structure of 76650-29-8 (1-(3'-METHYL[1,1'-BIPHENYL]-4-YL)ETHANONE)
Formula: C15H14O
Molecular Weight: 210.276
Synonyms: 4-Acetyl-3'-methylbiphenyl;3'-Methyl-4-acetylbiphenyl;Acetophenone,4-m-tolyl- (7CI);
Density: 1.038 g/cm3
Boiling Point: 334 °C at 760 mmHg
Flash Point: 142.9 °C
Hazard Symbols: IrritantXi
PSA: 17.07000
LogP: 3.86460
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Specification

The Ethanone,1-(3'-methyl[1,1'-biphenyl]-4-yl)- is an organic compound with the formula C15H14O. The systematic name of this chemical is 1-(3'-methylbiphenyl-4-yl)ethanone. With the CAS registry number 76650-29-8, it is also named as 1-(3'-Methyl[1,1'-biphenyl]-4-yl)ethanone.

Physical properties about Ethanone,1-(3'-methyl[1,1'-biphenyl]-4-yl)- are: (1)ACD/LogP: 3.97; (2)ACD/LogD (pH 5.5): 3.97; (3)ACD/LogD (pH 7.4): 3.97; (4)ACD/BCF (pH 5.5): 614.08; (5)ACD/BCF (pH 7.4): 614.08; (6)ACD/KOC (pH 5.5): 3446.8; (7)ACD/KOC (pH 7.4): 3446.8; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 17.07 Å2; (11)Index of Refraction: 1.562; (12)Molar Refractivity: 65.69 cm3; (13)Molar Volume: 202.5 cm3; (14)Polarizability: 26.04×10-24cm3; (15)Surface Tension: 38.1 dyne/cm; (16)Density: 1.038 g/cm3; (17)Flash Point: 142.9 °C; (18)Enthalpy of Vaporization: 57.69 kJ/mol; (19)Boiling Point: 334 °C at 760 mmHg; (20)Vapour Pressure: 0.000132 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(cc1)c2cccc(c2)C)C
(2)InChI: InChI=1/C15H14O/c1-11-4-3-5-15(10-11)14-8-6-13(7-9-14)12(2)16/h3-10H,1-2H3
(3)InChIKey: CMQLVQGSXLXPRH-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C15H14O/c1-11-4-3-5-15(10-11)14-8-6-13(7-9-14)12(2)16/h3-10H,1-2H3
(5)Std. InChIKey: CMQLVQGSXLXPRH-UHFFFAOYSA-N