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Search term: IVICCMHKRTYMTD (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 3-[(1E)-3-Carboxy-1-propen-1-yl]phthalic acid | C12H10O6

3-[(1E)-3-Carboxy-1-propen-1-yl]phthalic acid

  • Molecular FormulaC12H10O6
  • Average mass250.204 Da
  • Monoisotopic mass250.047745 Da
  • ChemSpider ID35035183
  • Double-bond stereo - Double-bond stereo


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,2-Benzenedicarboxylic acid, 3-[(1E)-3-carboxy-1-propen-1-yl]- [ACD/Index Name]
3-[(1E)-3-Carboxy-1-propen-1-yl]phthalic acid [ACD/IUPAC Name]
3-[(1E)-3-Carboxy-1-propen-1-yl]phthalsäure [German] [ACD/IUPAC Name]
3-[(1e)-3-Carboxyprop-1-En-1-Yl]benzene-1,2-Dicarboxylic Acid
Acide 3-[(1E)-3-carboxy-1-propén-1-yl]phtalique [French] [ACD/IUPAC Name]
3JN

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 550.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 300.8±26.6 °C
Index of Refraction: 1.670
Molar Refractivity: 62.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.77
ACD/LogD (pH 5.5): -2.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 78.6±3.0 dyne/cm
Molar Volume: 166.6±3.0 cm3

Click to predict properties on the Chemicalize site






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