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CAS No.: | 41499-11-0 |
---|---|
Name: | 2-(4-methoxyphenyl)-2-oxoethyl benzoate |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C16H14O4 |
Molecular Weight: | 270.285 |
Synonyms: | NSC 79398;a-(Benzoyloxy)-4-methoxyacetophenone;2-(4-Methoxyphenyl)-2-oxoethyl benzoate; |
Density: | 1.189 g/cm3 |
Boiling Point: | 448.3 °C at 760 mmHg |
Flash Point: | 200.4 °C |
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The Ethanone,2-(benzoyloxy)-1-(4-methoxyphenyl)-, with the CAS registry number 41499-11-0, is also known as a-(Benzoyloxy)-4-methoxyacetophenone. This chemical's molecular formula is C16H14O4 and molecular weight is 270.28. What's more, its systematic name is 2-(4-methoxyphenyl)-2-oxoethyl benzoate.
Physical properties of Ethanone,2-(benzoyloxy)-1-(4-methoxyphenyl)- are: (1)ACD/LogP: 3.75; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 52.6 Å2; (7)Index of Refraction: 1.567; (8)Molar Refractivity: 74.3 cm3; (9)Molar Volume: 227.2 cm3; (10)Polarizability: 29.45×10-24cm3; (11)Surface Tension: 45.2 dyne/cm; (12)Density: 1.189 g/cm3; (13)Flash Point: 200.4 °C; (14)Enthalpy of Vaporization: 70.68 kJ/mol; (15)Boiling Point: 448.3 °C at 760 mmHg; (16)Vapour Pressure: 3.14E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(=O)c1ccc(OC)cc1)c2ccccc2
(2)InChI: InChI=1S/C16H14O4/c1-19-14-9-7-12(8-10-14)15(17)11-20-16(18)13-5-3-2-4-6-13/h2-10H,11H2,1H3
(3)InChIKey: GEQWGCROHCOYEV-UHFFFAOYSA-N