ChemSpider 2D Image | 3-{5-Methylene-2-oxo-6-[(1E,3E)-(1,3,5-~13~C_3_)-1,3-pentadien-1-yl](3,5-~13~C_2_)-5,6-dihydro-2H-pyran-3-yl}(2-~13~C)propanoic acid | C813C6H16O4

3-{5-Methylene-2-oxo-6-[(1E,3E)-(1,3,5-13C3)-1,3-pentadien-1-yl](3,5-13C2)-5,6-dihydro-2H-pyran-3-yl}(2-13C)propanoic acid

  • Molecular FormulaC813C6H16O4
  • Average mass254.230 Da
  • Monoisotopic mass254.124985 Da
  • ChemSpider ID8928738

  • 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

2H-Pyran-3,5-13C2-3-propanoic-α-13C acid, 5,6-dihydro-5-methylene-2-oxo-6-[(1E,3E)-1,3-pentadien-1-yl-1,3,5-13C3]- [ACD/Index Name]
3-{5-Methylen-2-oxo-6-[(1E,3E)-(1,3,5-13C3)-1,3-pentadien-1-yl](3,5-13C2)-5,6-dihydro-2H-pyran-3-yl}(2-13C)propansäure [German] [ACD/IUPAC Name]
3-{5-Methylene-2-oxo-6-[(1E,3E)-(1,3,5-13C3)-1,3-pentadien-1-yl](3,5-13C2)-5,6-dihydro-2H-pyran-3-yl}(2-13C)propanoic acid [ACD/IUPAC Name]
Acide 3-{5-méthylène-2-oxo-6-[(1E,3E)-(1,3,5-13C3)-1,3-pentadién-1-yl](3,5-13C2)-5,6-dihydro-2H-pyran-3-yl}(2-13C)propanoïque [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: 1.541
Molar Refractivity: 67.4±0.4 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: 26.7±0.5 10-24cm3
Surface Tension: 43.9±5.0 dyne/cm
Molar Volume: 214.3±5.0 cm3

Click to predict properties on the Chemicalize site


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