ChemSpider 2D Image | 3-(1,3-Benzodioxol-5-yl)-3-(2-carboxyacetoxy)propanoic acid | C13H12O8

3-(1,3-Benzodioxol-5-yl)-3-(2-carboxyacetoxy)propanoic acid

  • Molecular FormulaC13H12O8
  • Average mass296.230 Da
  • Monoisotopic mass296.053223 Da
  • ChemSpider ID84455227

More details:

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

3-(1,3-Benzodioxol-5-yl)-3-(2-carboxyacetoxy)propanoic acid [ACD/IUPAC Name]
3-(1,3-Benzodioxol-5-yl)-3-(2-carboxyacetoxy)propansäure [German] [ACD/IUPAC Name]
Acide 3-(1,3-benzodioxol-5-yl)-3-(2-carboxyacétoxy)propanoïque [French] [ACD/IUPAC Name]
Propanedioic acid, mono[1-(1,3-benzodioxol-5-yl)-2-carboxyethyl] ester [ACD/Index Name]
3-(1,3-Benzodioxol-5-yl)-3-(2-carboxyacetyl)oxypropanoic acid
Compound NP-022927

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

Density: 1.5±0.1 g/cm3
Boiling Point: 541.5±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: 209.0±23.6 °C
Index of Refraction: 1.593
Molar Refractivity: 65.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.25
ACD/LogD (pH 5.5): -3.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 119 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 73.7±3.0 dyne/cm
Molar Volume: 192.9±3.0 cm3

Click to predict properties on the Chemicalize site


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