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13021-18-6

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Basic Information
CAS No.: 13021-18-6
Name: 1-(4'-METHOXY-BIPHENYL-4-YL)-ETHANONE
Article Data: 5
Molecular Structure:
Molecular Structure of 13021-18-6 (1-(4'-METHOXY-BIPHENYL-4-YL)-ETHANONE)
Formula: C15H14O2
Molecular Weight: 226.275
Synonyms: Acetophenone,4'-(p-methoxyphenyl)- (6CI,7CI,8CI);1-[4-(4-Methoxyphenyl)phenyl]ethanone;4-Acetyl-4'-methoxy-1,1'-biphenyl;4-Acetyl-4'-methoxybiphenyl;4'-(4-Methoxyphenyl)acetophenone;4'-Acetyl-4-methoxybiphenyl;NSC 179420;
Density: 1.076g/cm3
Boiling Point: 362.8 °C at 760 mmHg
Flash Point: 161.8 °C
Hazard Symbols: IrritantXi
PSA: 26.30000
LogP: 3.56480
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Specification

The Ethanone,1-(4'-methoxy[1,1'-biphenyl]-4-yl)-, with CAS registry number 13021-18-6, has the systematic name of 1-(4'-methoxybiphenyl-4-yl)ethanone. Besides this, it is also called 1-(4'-Methoxybiphenyl-4-yl)ethan-1-one. And the chemical formula of this chemical is C15H14O2.

Physical properties of Ethanone,1-(4'-methoxy[1,1'-biphenyl]-4-yl)-: (1)ACD/LogP: 3.33; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.555; (8)Molar Refractivity: 67.55 cm3; (9)Molar Volume: 210.2 cm3; (10)Polarizability: 26.77×10-24cm3; (11)Surface Tension: 38.1 dyne/cm; (12)Density: 1.076 g/cm3; (13)Flash Point: 161.8 °C; (14)Enthalpy of Vaporization: 60.88 kJ/mol; (15)Boiling Point: 362.8 °C at 760 mmHg; (16)Vapour Pressure: 1.88E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c2ccc(c1ccc(OC)cc1)cc2)C
(2)InChI: InChI=1/C15H14O2/c1-11(16)12-3-5-13(6-4-12)14-7-9-15(17-2)10-8-14/h3-10H,1-2H3
(3)InChIKey: AITDOOYSOAAUPM-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C15H14O2/c1-11(16)12-3-5-13(6-4-12)14-7-9-15(17-2)10-8-14/h3-10H,1-2H3
(5)Std. InChIKey: AITDOOYSOAAUPM-UHFFFAOYSA-N