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3-Methoxybenzophenone

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Name

3-Methoxybenzophenone

EINECS N/A
CAS No. 6136-67-0 Density 1.108 g/cm3
PSA 26.30000 LogP 2.92620
Solubility N/A Melting Point 44°C
Formula C14H12O2 Boiling Point 348.328 °C at 760 mmHg
Molecular Weight 212.248 Flash Point 158.034 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 6136-67-0 (3-Methoxybenzophenone) Hazard Symbols N/A
Synonyms

3-METHOXYBENZOPHENONE;OTAVA-BB 1044024;UKRORGSYN-BB BBV-5118602;3-Ethoxybenzophenone;(3-Methoxyphenyl)(phenyl)Methanone

Article Data 117

3-Methoxybenzophenone Specification

The 3-Methoxybenzophenone is an organic compound with the formula C14H12O2. The systematic name of this chemical is (3-methoxyphenyl)(phenyl)methanone. With the CAS registry number 6136-67-0, it is also named as 3-Ethoxybenzophenone.

Physical properties about 3-Methoxybenzophenone are: (1)ACD/LogP: 3.10; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 205; (5)ACD/BCF (pH 7.4): 205; (6)ACD/KOC (pH 5.5): 1574; (7)ACD/KOC (pH 7.4): 1574; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.569; (12)Molar Refractivity: 62.724 cm3; (13)Molar Volume: 191.551 cm3; (14)Polarizability: 24.866×10-24cm3; (15)Surface Tension: 40.62 dyne/cm; (16)Density: 1.108 g/cm3; (17)Flash Point: 158.034 °C; (18)Enthalpy of Vaporization: 59.27 kJ/mol; (19)Boiling Point: 348.328 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc(ccc1)C(=O)c2ccccc2
(2)InChI: InChI=1/C14H12O2/c1-16-13-9-5-8-12(10-13)14(15)11-6-3-2-4-7-11/h2-10H,1H3
(3)InChIKey: VMFJVWPCRCAWBS-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C14H12O2/c1-16-13-9-5-8-12(10-13)14(15)11-6-3-2-4-7-11/h2-10H,1H3
(5)Std. InChIKey: VMFJVWPCRCAWBS-UHFFFAOYSA-N

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