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53091-09-1

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Basic Information
CAS No.: 53091-09-1
Name: Ethyl thiophenene-3-glyoxylate
Article Data: 7
Molecular Structure:
Molecular Structure of 53091-09-1 (Ethyl thiophenene-3-glyoxylate)
Formula: C8H8O3S
Molecular Weight: 184.216
Synonyms: Ethyl thiophenene-3-glyoxylate
Density: 1.253 g/cm3
Boiling Point: 268.2 °C at 760 mmHg
Flash Point: 116 °C
PSA: 71.61000
LogP: 1.49390
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Specification

The cas register number of Ethyl thiophenene-3-glyoxylate is 53091-09-1. The Systematic name about this chemical is ethyl 2-oxo-2-(3-thienyl)acetate.

Physical properties about Ethyl thiophenene-3-glyoxylate are: (1)ACD/LogP: 1.48; (2)ACD/LogD (pH 5.5): 1.48; (3)ACD/LogD (pH 7.4): 1.48; (4)#H bond acceptors: 3; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 71.61Å2; (7)Index of Refraction: 1.534; (8)Molar Refractivity: 45.7 cm3; (9)Molar Volume: 146.9 cm3; (10)Polarizability: 18.11x10-24cm3; (11)Surface Tension: 44.6 dyne/cm; (12)Enthalpy of Vaporization: 50.62 kJ/mol; (13)Vapour Pressure: 0.00781 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C(=O)c1ccsc1
(2)InChI: InChI=1/C8H8O3S/c1-2-11-8(10)7(9)6-3-4-12-5-6/h3-5H,2H2,1H3
(3)InChIKey: SGCFFCMXADEZEU-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C8H8O3S/c1-2-11-8(10)7(9)6-3-4-12-5-6/h3-5H,2H2,1H3
(5)Std. InChIKey: SGCFFCMXADEZEU-UHFFFAOYSA-N