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Predicted properties of the compound entered.

ID QKHLSFKBBDTFQK-HWUMTFDVSA-N
Formula C15H15NO4
IUPAC Name 7,8-dimethyl (1S,2R,3R,5S,6R)-3-cyanotricyclo[4.2.2.0^{2,5}]deca-7,9-diene-7,8-dicarboxylate
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C15H15NO4/c1-19-14(17)12-8-3-4-9(13(12)15(18)20-2)11-7(6-16)5-10(8)11/h3-4,7-11H,5H2,1-2H3/t7-,8+,9-,10+,11-/m0/s1
Standard InChIKey (User Input) InChIKey=QKHLSFKBBDTFQK-HWUMTFDVSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers
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Mol-Instincts Database
 
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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13C NMR prediction -
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