ChemSpider 2D Image | 5-{(E)-[(2R)-2-Hydroxy-2,3-dihydro-1H-inden-1-ylidene]methyl}-1,3-benzodioxole-4-carboxylic acid | C18H14O5

5-{(E)-[(2R)-2-Hydroxy-2,3-dihydro-1H-inden-1-ylidene]methyl}-1,3-benzodioxole-4-carboxylic acid

  • Molecular FormulaC18H14O5
  • Average mass310.301 Da
  • Monoisotopic mass310.084137 Da
  • ChemSpider ID35034730

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,3-Benzodioxole-4-carboxylic acid, 5-[(E)-[(2R)-2,3-dihydro-2-hydroxy-1H-inden-1-ylidene]methyl]- [ACD/Index Name]
5-{(E)-[(2R)-2-Hydroxy-2,3-dihydro-1H-inden-1-yliden]methyl}-1,3-benzodioxol-4-carbonsäure [German] [ACD/IUPAC Name]
5-{(E)-[(2R)-2-Hydroxy-2,3-dihydro-1H-inden-1-ylidene]methyl}-1,3-benzodioxole-4-carboxylic acid [ACD/IUPAC Name]
Acide 5-{(E)-[(2R)-2-hydroxy-2,3-dihydro-1H-indén-1-ylidène]méthyl}-1,3-benzodioxole-4-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 541.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 203.2±23.6 °C
Index of Refraction: 1.743
Molar Refractivity: 83.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 1.97
ACD/KOC (pH 5.5): 15.68
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.20
Polar Surface Area: 76 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 77.1±3.0 dyne/cm
Molar Volume: 207.0±3.0 cm3

Click to predict properties on the Chemicalize site


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