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CAS No.: | 7494-43-1 |
---|---|
Name: | ethyl 2-(2-hydroxybenzoyl)benzoate |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C16H14O4 |
Molecular Weight: | 270.28 |
Synonyms: | Ethyl 2-(2-hydroxybenzoyl)benzoate; |
Density: | 1.226 g/cm3 |
Boiling Point: | 380.4 °C at 760 mmHg |
Flash Point: | 137.2 °C |
PSA: | 63.60000 |
LogP: | 2.79990 |
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The CAS registry number of Benzoic acid,2-(2-hydroxybenzoyl)-, ethyl ester is 7494-43-1. This chemical's molecular formula is C16H14O4 and molecular weight is 270.28. What's more, both its IUPAC name and systematic name are the same which is called Ethyl 2-(2-hydroxybenzoyl)benzoate.
Physical properties about Benzoic acid,2-(2-hydroxybenzoyl)-, ethyl ester are: (1)ACD/LogP: 3.43; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 52.6 Å2; (7)Index of Refraction: 1.589; (8)Molar Refractivity: 74.33 cm3; (9)Molar Volume: 220.3 cm3; (10)Polarizability: 29.46×10-24 cm3; (11)Surface Tension: 50.1 dyne/cm; (12)Density: 1.226 g/cm3; (13)Flash Point: 137.2 °C; (14)Enthalpy of Vaporization: 65.31 kJ/mol; (15)Boiling Point: 380.4 °C at 760 mmHg; (16)Vapour Pressure: 2.5E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccccc1O)c2ccccc2C(=O)OCC
(2) InChI: InChI=1/C16H14O4/c1-2-20-16(19)12-8-4-3-7-11(12)15(18)13-9-5-6-10-14(13)17/h3-10,17H,2H2,1H3
(3) InChIKey: SLQRLJDRKMGXJC-UHFFFAOYAR