ChemSpider 2D Image | Methyl 1-(3,4-dihydroxyphenyl)-5,6-dihydroxy-3-(2-methoxy-2-oxoethyl)-2-indanecarboxylate | C20H20O8

Methyl 1-(3,4-dihydroxyphenyl)-5,6-dihydroxy-3-(2-methoxy-2-oxoethyl)-2-indanecarboxylate

  • Molecular FormulaC20H20O8
  • Average mass388.368 Da
  • Monoisotopic mass388.115814 Da
  • ChemSpider ID35013419

More details:

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

1-(3,4-Dihydroxyphényl)-5,6-dihydroxy-3-(2-méthoxy-2-oxoéthyl)-2-indanecarboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Indene-1-acetic acid, 3-(3,4-dihydroxyphenyl)-2,3-dihydro-5,6-dihydroxy-2-(methoxycarbonyl)-, methyl ester [ACD/Index Name]
Methyl 1-(3,4-dihydroxyphenyl)-5,6-dihydroxy-3-(2-methoxy-2-oxoethyl)-2-indanecarboxylate [ACD/IUPAC Name]
Methyl-1-(3,4-dihydroxyphenyl)-5,6-dihydroxy-3-(2-methoxy-2-oxoethyl)-2-indancarboxylat [German] [ACD/IUPAC Name]
Dimethyl (1R*,2S*,3S*)-2-carboxy-3-(3,4-dihydroxyphenyl)-2,3-dihydro-5,6-dihydroxy-1H-indene-1-acetate
methyl 1-(3,4-dihydroxyphenyl)-5,6-dihydroxy-3-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-indene-2-carboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 587.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 208.4±23.6 °C
Index of Refraction: 1.634
Molar Refractivity: 97.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.10
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.88
ACD/KOC (pH 5.5): 216.76
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.68
ACD/KOC (pH 7.4): 213.51
Polar Surface Area: 134 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 65.4±3.0 dyne/cm
Molar Volume: 271.6±3.0 cm3

Click to predict properties on the Chemicalize site


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