ChemSpider 2D Image | Dimethyl [(3E)-3-(1-hydroxyethylidene)-2-oxo-3,4-dihydro-2H-chromen-4-yl]phosphonate | C13H15O6P

Dimethyl [(3E)-3-(1-hydroxyethylidene)-2-oxo-3,4-dihydro-2H-chromen-4-yl]phosphonate

  • Molecular FormulaC13H15O6P
  • Average mass298.228 Da
  • Monoisotopic mass298.060638 Da
  • ChemSpider ID57442736

  • Double-bond stereo - Double-bond stereo

More details:

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

[(3E)-3-(1-Hydroxyéthylidène)-2-oxo-3,4-dihydro-2H-chromén-4-yl]phosphonate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl [(3E)-3-(1-hydroxyethylidene)-2-oxo-3,4-dihydro-2H-chromen-4-yl]phosphonate [ACD/IUPAC Name]
Dimethyl-[(3E)-3-(1-hydroxyethyliden)-2-oxo-3,4-dihydro-2H-chromen-4-yl]phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-[(3E)-3,4-dihydro-3-(1-hydroxyethylidene)-2-oxo-2H-1-benzopyran-4-yl]-, dimethyl ester [ACD/Index Name]
PHOSPHONIC ACID,[(3E)-3,4-DIHYDRO-3-(1-HYDROXYETHYLIDENE)-2-OXO-2H-1-BENZOPYRAN-4-YL]-, DIMETHYL ESTER

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

Density: 1.4±0.1 g/cm3
Boiling Point: 439.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.5±3.0 kJ/mol
Flash Point: 219.9±28.7 °C
Index of Refraction: 1.556
Molar Refractivity: 70.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.26
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.56
ACD/LogD (pH 7.4): -1.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 218.4±5.0 cm3

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