ChemSpider 2D Image | 2-(3-Hydroxy-3,4,5,6-tetrahydro-1H-cyclopenta[c]furan-4-yl)-3-methoxy-3-oxopropanoic acid | C11H14O6

2-(3-Hydroxy-3,4,5,6-tetrahydro-1H-cyclopenta[c]furan-4-yl)-3-methoxy-3-oxopropanoic acid

  • Molecular FormulaC11H14O6
  • Average mass242.225 Da
  • Monoisotopic mass242.079041 Da
  • ChemSpider ID35014515

More details:

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

2-(3-Hydroxy-3,4,5,6-tetrahydro-1H-cyclopenta[c]furan-4-yl)-3-methoxy-3-oxopropanoic acid [ACD/IUPAC Name]
2-(3-Hydroxy-3,4,5,6-tetrahydro-1H-cyclopenta[c]furan-4-yl)-3-methoxy-3-oxopropansäure [German] [ACD/IUPAC Name]
Acide 2-(3-hydroxy-3,4,5,6-tétrahydro-1H-cyclopenta[c]furan-4-yl)-3-méthoxy-3-oxopropanoïque [French] [ACD/IUPAC Name]
Propanedioic acid, 2-(3,4,5,6-tetrahydro-3-hydroxy-1H-cyclopenta[c]furan-4-yl)-, monomethyl ester [ACD/Index Name]
2-{3-hydroxy-1H,3H,4H,5H,6H-cyclopenta[c]furan-4-yl}-3-methoxy-3-oxopropanoic acid
Genipinic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 467.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.2±6.0 kJ/mol
Flash Point: 185.7±22.2 °C
Index of Refraction: 1.563
Molar Refractivity: 55.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.28
ACD/LogD (pH 5.5): -2.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 169.5±5.0 cm3

Click to predict properties on the Chemicalize site


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