ChemSpider 2D Image | (2Z)-[(2S,4S)-2,4-Dihydroxycyclohexylidene]acetonitrile | C8H11NO2

(2Z)-[(2S,4S)-2,4-Dihydroxycyclohexylidene]acetonitrile

  • Molecular FormulaC8H11NO2
  • Average mass153.178 Da
  • Monoisotopic mass153.078979 Da
  • ChemSpider ID40256509

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2Z)-[(2S,4S)-2,4-Dihydroxycyclohexyliden]acetonitril [German] [ACD/IUPAC Name]
(2Z)-[(2S,4S)-2,4-Dihydroxycyclohexylidene]acetonitrile [ACD/IUPAC Name]
(2Z)-[(2S,4S)-2,4-Dihydroxycyclohexylidène]acétonitrile [French] [ACD/IUPAC Name]
Acetonitrile, 2-[(2S,4S)-2,4-dihydroxycyclohexylidene]-, (2Z)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 366.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.0±6.0 kJ/mol
Flash Point: 175.6±27.9 °C
Index of Refraction: 1.674
Molar Refractivity: 41.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.80
ACD/LogD (pH 5.5): -0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.90
ACD/LogD (pH 7.4): -0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.90
Polar Surface Area: 64 Å2
Polarizability: 16.5±0.5 10-24cm3
Surface Tension: 92.2±3.0 dyne/cm
Molar Volume: 111.0±3.0 cm3

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