ChemSpider 2D Image | MFCD18432326 | C9H12O4

MFCD18432326

  • Molecular FormulaC9H12O4
  • Average mass184.189 Da
  • Monoisotopic mass184.073563 Da
  • ChemSpider ID60601974

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2R)-4-Methyl-4-cyclohexen-1,2-dicarbonsäure [German] [ACD/IUPAC Name]
(2R)-4-Methyl-4-cyclohexene-1,2-dicarboxylic acid [ACD/IUPAC Name]
4-Cyclohexene-1,2-dicarboxylic acid, 4-methyl-, (2R)- [ACD/Index Name]
Acide (2R)-4-méthyl-4-cyclohexène-1,2-dicarboxylique [French] [ACD/IUPAC Name]
MFCD18432326
1262758-14-4 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 392.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 70.5±6.0 kJ/mol
Flash Point: 205.5±24.4 °C
Index of Refraction: 1.534
Molar Refractivity: 44.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.09
ACD/LogD (pH 5.5): -0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.63
ACD/LogD (pH 7.4): -3.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 142.2±3.0 cm3

Click to predict properties on the Chemicalize site


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