ChemSpider 2D Image | TRANS-ACONITIC ANHYDRIDE | C6H4O5

TRANS-ACONITIC ANHYDRIDE

  • Molecular FormulaC6H4O5
  • Average mass156.093 Da
  • Monoisotopic mass156.005875 Da
  • ChemSpider ID21436044

More details:

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

14556-16-2 [RN]
2,6-Dioxo-3,6-dihydro-2H-pyran-4-carbonsäure [German] [ACD/IUPAC Name]
2,6-Dioxo-3,6-dihydro-2H-pyran-4-carboxylic acid [ACD/IUPAC Name]
2H-Pyran-4-carboxylic acid, 3,6-dihydro-2,6-dioxo- [ACD/Index Name]
Acide 2,6-dioxo-3,6-dihydro-2H-pyrane-4-carboxylique [French] [ACD/IUPAC Name]
MFCD00238750 [MDL number]
trans-Aconitic acid anhydride
TRANS-ACONITIC ANHYDRIDE
[14556-16-2] [RN]
2,6-DIOXO-3H-PYRAN-4-CARBOXYLIC ACID
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 379.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.0±6.0 kJ/mol
Flash Point: 169.5±21.4 °C
Index of Refraction: 1.565
Molar Refractivity: 30.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.42
ACD/LogD (pH 5.5): -3.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 81 Å2
Polarizability: 12.1±0.5 10-24cm3
Surface Tension: 75.8±3.0 dyne/cm
Molar Volume: 94.0±3.0 cm3

Click to predict properties on the Chemicalize site


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