ChemSpider 2D Image | (2E)-4-Oxo(1,2,3-~13~C_3_)-2-pentenoic acid | C213C3H6O3

(2E)-4-Oxo(1,2,3-13C3)-2-pentenoic acid

  • Molecular FormulaC213C3H6O3
  • Average mass117.077 Da
  • Monoisotopic mass117.041756 Da
  • ChemSpider ID112712139

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(2E)-4-Oxo(1,2,3-13C3)-2-pentenoic acid [ACD/IUPAC Name]
(2E)-4-Oxo(1,2,3-13C3)-2-pentensäure [German] [ACD/IUPAC Name]
2-Pentenoic-1,2,3-13C3 acid, 4-oxo-, (2E)- [ACD/Index Name]
Acide (2E)-4-oxo(1,2,3-13C3)-2-penténoïque [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.469
Molar Refractivity: 26.9±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 10.6±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 96.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement