ChemSpider 2D Image | 3-[(2Z)-1-Oxo-2-buten-2-yl]pentanedioic acid | C9H12O5

3-[(2Z)-1-Oxo-2-buten-2-yl]pentanedioic acid

  • Molecular FormulaC9H12O5
  • Average mass200.189 Da
  • Monoisotopic mass200.068466 Da
  • ChemSpider ID11394716

  • Double-bond stereo - Double-bond stereo

More details:

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

3-[(2Z)-1-Oxo-2-buten-2-yl]pentandisäure [German] [ACD/IUPAC Name]
3-[(2Z)-1-Oxo-2-buten-2-yl]pentanedioic acid [ACD/IUPAC Name]
Acide 3-[(2Z)-1-oxo-2-butén-2-yl]pentanedioïque [French] [ACD/IUPAC Name]
Pentanedioic acid, 3-[(1Z)-1-formyl-1-propen-1-yl]- [ACD/Index Name]
(Z)-3-(1-Formyl-1-propenyl)pentanedioic acid
220007-88-5 [RN]
3-[(2Z)-1-oxobut-2-en-2-yl]pentanedioic acid
PENTANEDIOIC ACID, 3-[(1Z)-1-FORMYL-1-PROPENYL]-

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

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

Density: 1.3±0.0 g/cm3
Boiling Point: 430.6±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 75.2±0.0 kJ/mol
Flash Point: 228.3±0.0 °C
Index of Refraction: 1.508
Molar Refractivity: 46.9±0.0 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.00
ACD/LogD (pH 5.5): -2.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 18.6±0.0 10-24cm3
Surface Tension: 52.3±0.0 dyne/cm
Molar Volume: 157.5±0.0 cm3

Click to predict properties on the Chemicalize site


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