<

Predicted properties of the compound entered.

ID AAFXQFIGKBLKMC-KQQUZDAGSA-N
Formula C12H10O4
IUPAC Name (2E)-3-{4-[(1E)-2-carboxyeth-1-en-1-yl]phenyl}prop-2-enoic acid
SMILES
Standard InChI
Standard InChIKey
Cite this record
Copied
Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C12H10O4/c13-11(14)7-5-9-1-2-10(4-3-9)6-8-12(15)16/h1-8H,(H,13,14)(H,15,16)/b7-5+,8-6+
Standard InChIKey (User Input) InChIKey=AAFXQFIGKBLKMC-KQQUZDAGSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers (E)-3-[4-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenyl]prop-2-enoic acid | (E)-3-[4-(3-hydroxy-3-oxoprop-1-enyl)phenyl]prop-2-enoic acid | 3-[4-(3-hydroxy-3-oxoprop-1-enyl)phenyl]prop-2-enoic acid | (E)-3-[4-[(E)-3-hydroxy-3-oxo-prop-1-enyl]phenyl]prop-2-enoic acid | (E)-3-[4-(3-hydroxy-3-oxo-prop-1-enyl)phenyl]prop-2-enoic acid | 3-[4-(3-hydroxy-3-oxo-prop-1-enyl)phenyl]prop-2-enoic acid | (E)-3-[4-[(E)-3-hydroxy-3-keto-prop-1-enyl]phenyl]acrylic acid | (E)-3-[4-(3-hydroxy-3-keto-prop-1-enyl)phenyl]acrylic acid | 3-[4-(3-hydroxy-3-keto-prop-1-enyl)phenyl]acrylic acid | 16323-43-6 | CBDivE_002295 | ST5307976 | 3,3'-(1,4-Phenylene)bis-2-propenoic acid | 2-Propenoic acid, 3,3'-(1,4-phenylene)bis- | NCGC00091630-01 | p-Benzenediacrylic acid | NSC133919 | 3,3'-(p-Phenylene)diacrylic acid | EINECS 240-399-0 | 1,4-Phenylenediacrylic acid | P23903_ALDRICH | NSC 133919 | p-Phenylenediacrylic acid
This prediction is based on QSPR only and is the first basic approximate estimation.
For more property data (~2,100 data sets per compound) with higher accuracy , try our new database.
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 - - -
For professional applications, try our new chemical database based on quantum mechanics - more property data (~2,100 data sets per compound) with higher accuracy.

Mol-Instincts Database

Additional Information Link
1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
All prediction -