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Methanone,(3,4-dimethoxyphenyl)phenyl- (4038-14-6)

Identification
Name:Methanone,(3,4-dimethoxyphenyl)phenyl-
Synonyms:Benzophenone,3,4-dimethoxy- (6CI,7CI,8CI);NSC 145888;
CAS:4038-14-6
Molecular Formula: C15H14O3
Molecular Weight: 242.27
InChI: InChI=1/C15H14O3/c1-17-13-9-8-12(10-14(13)18-2)15(16)11-6-4-3-5-7-11/h3-10H,1-2H3
Molecular Structure: (C15H14O3) Benzophenone,3,4-dimethoxy- (6CI,7CI,8CI);NSC 145888;
Properties
Density:1.123 g/cm3
Refractive index:1.557
Specification:

The 3,4-Dimethoxybenzophenone, with the cas registry number 4038-14-6, has its systematic name of (3,4-dimethoxyphenyl)(phenyl)methanone. And its product categories are including Aromatic Benzophenones & Derivatives (substituted).

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.30; (2)ACD/LogD (pH 5.5): 3.3; (3)ACD/LogD (pH 7.4): 3.3; (4)ACD/BCF (pH 5.5): 190.8; (5)ACD/BCF (pH 7.4): 190.8; (6)ACD/KOC (pH 5.5): 1492.95; (7)ACD/KOC (pH 7.4): 1492.95; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 35.53; (11)Index of Refraction: 1.557; (12)Molar Refractivity: 69.4 cm3; (13)Molar Volume: 215.5 cm3; (14)Polarizability: 27.51 ×10-24 cm3; (15)Surface Tension: 39.4 dyne/cm; (16)Density: 1.123 g/cm3; (17)Flash Point: 175.5 °C; (18)Enthalpy of Vaporization: 62.89 kJ/mol; (19)Boiling Point: 380.7 °C at 760 mmHg; (20)Vapour Pressure: 5.34E-06 mmHg at 25°C; (21)Exact Mass: 242.094294; (22)MonoIsotopic Mass: 242.094294; (23)Topological Polar Surface Area: 35.5; (24)Heavy Atom Count: 18; (25)Complexity: 271.

Addtionally, the following datas could be converted inte the molecular structure:
(1)SMILES:O=C(c1cc(OC)c(OC)cc1)c2ccccc2
(2)InChI:InChI=1/C15H14O3/c1-17-13-9-8-12(10-14(13)18-2)15(16)11-6-4-3-5-7-11/h3-10H,1-2H3
(3)InChIKey:WCNOATOQNSHEFK-UHFFFAOYAY

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