ChemSpider 2D Image | (2E)-(4,6-Dihydroxy-2-cyclohexen-1-ylidene)acetonitrile | C8H9NO2

(2E)-(4,6-Dihydroxy-2-cyclohexen-1-ylidene)acetonitrile

  • Molecular FormulaC8H9NO2
  • Average mass151.163 Da
  • Monoisotopic mass151.063324 Da
  • ChemSpider ID72381046

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-(4,6-Dihydroxy-2-cyclohexen-1-yliden)acetonitril [German] [ACD/IUPAC Name]
(2E)-(4,6-Dihydroxy-2-cyclohexen-1-ylidene)acetonitrile [ACD/IUPAC Name]
(2E)-(4,6-Dihydroxy-2-cyclohexén-1-ylidène)acétonitrile [French] [ACD/IUPAC Name]
Acetonitrile, 2-(4,6-dihydroxy-2-cyclohexen-1-ylidene)-, (2E)- [ACD/Index Name]
127350-68-9 [RN]
Coclauril
MFCD20260939

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

Density: 1.4±0.1 g/cm3
Boiling Point: 392.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 74.2±6.0 kJ/mol
Flash Point: 190.9±27.9 °C
Index of Refraction: 1.721
Molar Refractivity: 41.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.17
ACD/LogD (pH 5.5): -0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.52
ACD/LogD (pH 7.4): -0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.52
Polar Surface Area: 64 Å2
Polarizability: 16.4±0.5 10-24cm3
Surface Tension: 102.1±3.0 dyne/cm
Molar Volume: 104.3±3.0 cm3

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