ChemSpider 2D Image | 1-[(1S,2S)-2-Methylcyclopropyl]-1-propanone | C7H12O

1-[(1S,2S)-2-Methylcyclopropyl]-1-propanone

  • Molecular FormulaC7H12O
  • Average mass112.170 Da
  • Monoisotopic mass112.088814 Da
  • ChemSpider ID60681442

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(1S,2S)-2-Methylcyclopropyl]-1-propanon [German] [ACD/IUPAC Name]
1-[(1S,2S)-2-Methylcyclopropyl]-1-propanone [ACD/IUPAC Name]
1-[(1S,2S)-2-Méthylcyclopropyl]-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[(1S,2S)-2-methylcyclopropyl]- [ACD/Index Name]
63787-96-2 [RN]
MFCD24701704

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

Density: 0.9±0.1 g/cm3
Boiling Point: 148.3±8.0 °C at 760 mmHg
Vapour Pressure: 4.2±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.5±3.0 kJ/mol
Flash Point: 42.6±6.1 °C
Index of Refraction: 1.448
Molar Refractivity: 32.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.23
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 5.03
ACD/KOC (pH 5.5): 110.62
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 5.03
ACD/KOC (pH 7.4): 110.62
Polar Surface Area: 17 Å2
Polarizability: 12.8±0.5 10-24cm3
Surface Tension: 29.4±3.0 dyne/cm
Molar Volume: 121.0±3.0 cm3

Click to predict properties on the Chemicalize site


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