ChemSpider 2D Image | Methyl 6-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-4-hydroxy-2-oxo-2H-pyran-3-carboxylate | C15H12O7

Methyl 6-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-4-hydroxy-2-oxo-2H-pyran-3-carboxylate

  • Molecular FormulaC15H12O7
  • Average mass304.252 Da
  • Monoisotopic mass304.058289 Da
  • ChemSpider ID23327028

  • Double-bond stereo - Double-bond stereo

More details:

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

2H-Pyran-3-carboxylic acid, 6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxo-, methyl ester [ACD/Index Name]
6-[(E)-2-(3,4-Dihydroxyphényl)vinyl]-4-hydroxy-2-oxo-2H-pyrane-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 6-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-4-hydroxy-2-oxo-2H-pyran-3-carboxylate [ACD/IUPAC Name]
Methyl-6-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-4-hydroxy-2-oxo-2H-pyran-3-carboxylat [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL470046/
methyl 6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxo-2H-pyran-3-carboxylate
phelligridin B

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

Density: 1.7±0.1 g/cm3
Boiling Point: 546.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 207.4±23.6 °C
Index of Refraction: 1.784
Molar Refractivity: 77.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.11
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.07
ACD/LogD (pH 7.4): -2.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 101.8±3.0 dyne/cm
Molar Volume: 184.1±3.0 cm3

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