Molecular Structure of Ethyl cis-3-(acetamido)-2-butenoate (CAS NO.23652-56-4):
Systematic Name: Ethyl (2Z)-3-(acetylamino)but-2-enoate
Molecular Formula: C8H13NO3
Molecular Weight: 171.20
CAS Registry Number: 23652-56-4
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 4
Index of Refraction: 1.455
Molar Refractivity: 44.41 cm3
Molar Volume: 163.4 cm3
Surface Tension: 32.9 dyne/cm
Density: 1.047 g/cm3
Flash Point: 145.5 °C
Enthalpy of Vaporization: 55.84 kJ/mol
Boiling Point: 317 °C at 760 mmHg
Vapour Pressure: 0.000395 mmHg at 25 °C
Product Categories: API intermediates
SMILES: O=C(N\C(=C/C(=O)OCC)C)C
InChI: InChI=1/C8H13NO3/c1-4-12-8(11)5-6(2)9-7(3)10/h5H,4H2,1-3H3,(H,9,10)/b6-5-
InChIKey: RNBWGWPKGHGLOY-WAYWQWQTBZ
Ethyl cis-3-(acetamido)-2-butenoate (CAS NO.23652-56-4), its Synonyms are 2-Butenoic acid,3-(acetylamino)-, ethyl ester, (2Z)- ; 2-Butenoicacid, 3-(acetylamino)-, ethyl ester, (Z)- ; Crotonic acid, 3-acetamido-, ethylester, (Z)- (8CI) ; N-((Z)-3-Ethoxy-1-methyl-3-oxo-1-propenyl)acetamide .
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