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Predicted properties of the compound entered.

ID QJNXSPWUBMFCND-UHFFFAOYSA-N
Formula C11H11NO6
IUPAC Name (acetyloxy)(3-nitrophenyl)methyl acetate
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C11H11NO6/c1-7(13)17-11(18-8(2)14)9-4-3-5-10(6-9)12(15)16/h3-6,11H,1-2H3
Standard InChIKey (User Input) InChIKey=QJNXSPWUBMFCND-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers [acetyloxy-(3-nitrophenyl)methyl] acetate | [acetoxy-(3-nitrophenyl)methyl] acetate | acetic acid [acetoxy-(3-nitrophenyl)methyl] ester | [acetyloxy-(3-nitrophenyl)methyl] ethanoate | 29949-19-7 | 3-Nitrobenzylidene di(acetate) | CBDivE_001760 | NSC143713 | ZINC01727466 | EINECS 249-969-3
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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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13C NMR prediction -
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