ChemSpider 2D Image | (1S)-3-Methylene-1,2-cyclopropanedicarboxylic acid | C6H6O4

(1S)-3-Methylene-1,2-cyclopropanedicarboxylic acid

  • Molecular FormulaC6H6O4
  • Average mass142.109 Da
  • Monoisotopic mass142.026611 Da
  • ChemSpider ID61474768

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(1S)-3-Methylen-1,2-cyclopropandicarbonsäure [German] [ACD/IUPAC Name]
(1S)-3-Methylene-1,2-cyclopropanedicarboxylic acid [ACD/IUPAC Name]
1,2-Cyclopropanedicarboxylic acid, 3-methylene-, (1S)- [ACD/Index Name]
Acide (1S)-3-méthylène-1,2-cyclopropanedicarboxylique [French] [ACD/IUPAC Name]
1822304-76-6 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 309.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 60.5±6.0 kJ/mol
Flash Point: 155.0±21.1 °C
Index of Refraction: 1.556
Molar Refractivity: 30.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.65
ACD/LogD (pH 5.5): -2.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 12.1±0.5 10-24cm3
Surface Tension: 61.4±5.0 dyne/cm
Molar Volume: 95.2±5.0 cm3

Click to predict properties on the Chemicalize site


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