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Search term: 58128260 (Found by CSID)
ChemSpider 2D Image | (1R,6S,7R)-7-Methylbicyclo[4.1.0]hept-2-ene-3,7-dicarboxylic acid | C10H12O4

(1R,6S,7R)-7-Methylbicyclo[4.1.0]hept-2-ene-3,7-dicarboxylic acid

  • Molecular FormulaC10H12O4
  • Average mass196.200 Da
  • Monoisotopic mass196.073563 Da
  • ChemSpider ID58128260

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,6S,7R)-7-Methylbicyclo[4.1.0]hept-2-en-3,7-dicarbonsäure [German] [ACD/IUPAC Name]
(1R,6S,7R)-7-Methylbicyclo[4.1.0]hept-2-ene-3,7-dicarboxylic acid [ACD/IUPAC Name]
Acide (1R,6S,7R)-7-méthylbicyclo[4.1.0]hept-2-ène-3,7-dicarboxylique [French] [ACD/IUPAC Name]
Bicyclo[4.1.0]hept-2-ene-3,7-dicarboxylic acid, 7-methyl-, (1R,6S,7R)- [ACD/Index Name]
Eupenicisirenin B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 403.5±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 71.9±6.0 kJ/mol
Flash Point: 212.0±20.5 °C
Index of Refraction: 1.586
Molar Refractivity: 46.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.99
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.05
ACD/LogD (pH 7.4): -3.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 62.5±3.0 dyne/cm
Molar Volume: 139.4±3.0 cm3

Click to predict properties on the Chemicalize site


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