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86867-62-1

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Basic Information
CAS No.: 86867-62-1
Name: ETHYL 2-FORMYLCINNAMATE
Article Data: 29
Molecular Structure:
Molecular Structure of 86867-62-1 (ETHYL 2-FORMYLCINNAMATE)
Formula: C12H12O3
Molecular Weight: 204.225
Synonyms: Ethyl 2-formylcinnamate;
Density: 1.144 g/cm3
Boiling Point: 341.421 °C at 760 mmHg
Flash Point: 151.273 °C
PSA: 43.37000
LogP: 2.07540
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Specification

The CAS register number of Ethyl 2-formylcinnamate is 86867-62-1. It also can be called as 2-Propenoic acid,3-(2-formylphenyl)-, ethyl ester and the systematic name about this chemical is ethyl (2E)-3-(2-formylphenyl)prop-2-enoate. The molecular formula about this chemical is C12H12O3 and the molecular weight is 204.22. It belongs to the following product categories, such as Pharmaceutical Intermediates; Aromatic Esters and so on.

Physical properties about Ethyl 2-formylcinnamate are: (1)ACD/LogP: 1.88; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 24; (5)ACD/BCF (pH 7.4): 24; (6)ACD/KOC (pH 5.5): 343; (7)ACD/KOC (pH 7.4): 343; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 43.37 Å2; (11)Index of Refraction: 1.586; (12)Molar Refractivity: 59.936 cm3; (13)Molar Volume: 178.571 cm3; (14)Polarizability: 23.76x10-24cm3; (15)Surface Tension: 43.878 dyne/cm; (16)Enthalpy of Vaporization: 58.507 kJ/mol; (17)Boiling Point: 341.421 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccccc1\C=C\C(=O)OCC
(2)InChI: InChI=1/C12H12O3/c1-2-15-12(14)8-7-10-5-3-4-6-11(10)9-13/h3-9H,2H2,1H3/b8-7+
(3)InChIKey: YTQRPRCIESSITI-BQYQJAHWBI
(4)Std. InChI: InChI=1S/C12H12O3/c1-2-15-12(14)8-7-10-5-3-4-6-11(10)9-13/h3-9H,2H2,1H3/b8-7+
(5)Std. InChIKey: YTQRPRCIESSITI-BQYQJAHWSA-N