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CAS No.: | 6136-67-0 |
---|---|
Name: | 3-Methoxybenzophenone |
Article Data: | 117 |
Molecular Structure: | |
Formula: | C14H12O2 |
Molecular Weight: | 212.248 |
Synonyms: | 3-METHOXYBENZOPHENONE;OTAVA-BB 1044024;UKRORGSYN-BB BBV-5118602;3-Ethoxybenzophenone;(3-Methoxyphenyl)(phenyl)Methanone |
Density: | 1.108 g/cm3 |
Melting Point: | 44°C |
Boiling Point: | 348.328 °C at 760 mmHg |
Flash Point: | 158.034 °C |
PSA: | 26.30000 |
LogP: | 2.92620 |
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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