ChemSpider 2D Image | 6-Cyano-3-oxohexanoate | C7H8NO3

6-Cyano-3-oxohexanoate

  • Molecular FormulaC7H8NO3
  • Average mass154.144 Da
  • Monoisotopic mass154.050964 Da
  • ChemSpider ID57565290

  • Charge - Charge

More details:

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

6-Cyan-3-oxohexanoat [German] [ACD/IUPAC Name]
6-Cyano-3-oxohexanoate [ACD/IUPAC Name]
6-Cyano-3-oxohexanoate [French] [ACD/IUPAC Name]
Hexanoic acid, 6-cyano-3-oxo-, ion(1-) [ACD/Index Name]
65193-87-5 [RN]

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

Density:
Boiling Point: 385.9±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 69.7±6.0 kJ/mol
Flash Point: 187.2±23.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.66
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): -3.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 81 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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