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Predicted properties of the compound entered.

ID GFDHQCVQEZVPRQ-ZZXKWVIFSA-N
Formula C7H9NO3S
IUPAC Name ethyl 2-[(2E)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C7H9NO3S/c1-2-11-7(10)3-6-8-5(9)4-12-6/h3H,2,4H2,1H3,(H,8,9)/b6-3+
Standard InChIKey (User Input) InChIKey=GFDHQCVQEZVPRQ-ZZXKWVIFSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers ethyl (2E)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetate | ethyl (2E)-2-(4-oxothiazolidin-2-ylidene)acetate | (2E)-2-(4-oxo-2-thiazolidinylidene)acetic acid ethyl ester | (2E)-2-(4-ketothiazolidin-2-ylidene)acetic acid ethyl ester | ethyl (2E)-2-(4-oxo-1,3-thiazolidin-2-ylidene)ethanoate | 24146-36-9 | NSC153304 | JP 00167 | MLS000054379 | SMR000066127 | ZINC00164735 | SR-01000618608-2 | .DELTA.2,.alpha.-Thiazolidineacetic acid, 4-oxo-, ethyl ester | Acetic acid, (4-oxo-2-thiazolidinylidene)-, ethyl ester
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Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
Acentric Factor - - -
Critical Compressibility Factor - - -
Critical Pressure - - -
Critical Temperature - - -
Critical Volume - - -
Enthalpy of Formation for Ideal Gas at 298.15K - - -
Liquid Molar Volume at 298.15K - - -
Molecular Weight - - -
Net Standard State Enthalpy of Combustion at 298.15K - - -
Normal Boiling Point - - -
Melting Point - - -
Refractive Index - - -
Solubility Parameter at 298.15K - - -
Standard State Absolute Entropy at 298.15K and 1bar - - -
Standard State Enthalpy of Formation at 298.15K and 1bar - - -
Magnetic Susceptibility - - -
Polarizability - - -
Flash Point - - -
Parachor - - -
Lower Flammability Limit Temperature - - -
Lower Flammability Limit Volume Percent - - -
Upper Flammability Limit Temperature - - -
Upper Flammability Limit Volume Percent - - -
Liquid Density at Normal Boiling Point - - -
Heat of Vaporization at 298.15K - - -
Heat of Vaporization at Normal Boiling Point - - -
Water Solubility - - -
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1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
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