ChemSpider 2D Image | (1R,6S)-6-Amino-5-oxo-2-cyclohexene-1-carboxylic acid | C7H9NO3

(1R,6S)-6-Amino-5-oxo-2-cyclohexene-1-carboxylic acid

  • Molecular FormulaC7H9NO3
  • Average mass155.151 Da
  • Monoisotopic mass155.058243 Da
  • ChemSpider ID26332026

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,6S)-6-Amino-5-oxo-2-cyclohexen-1-carbonsäure [German] [ACD/IUPAC Name]
(1R,6S)-6-Amino-5-oxo-2-cyclohexene-1-carboxylic acid [ACD/IUPAC Name]
(1R,6S)-6-amino-5-oxocyclohex-2-ene-1-carboxylic acid
2-Cyclohexene-1-carboxylic acid, 6-amino-5-oxo-, (1R,6S)- [ACD/Index Name]
Acide (1R,6S)-6-amino-5-oxo-2-cyclohexène-1-carboxylique [French] [ACD/IUPAC Name]
(1R,6S)-6-amino-5-oxocyclohex-2-ene-1-carboxylate
(1R,6S)-6-amino-5-oxocyclohex-2-ene-1-carboxylate
(1R,6S)-6-amino-5-oxocyclohex-2-ene-1-carboxylic acid zwitterion
(1R,6S)-6-ammonio-5-oxocyclohex-2-ene-1-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 376.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 68.5±6.0 kJ/mol
Flash Point: 181.3±27.9 °C
Index of Refraction: 1.552
Molar Refractivity: 37.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.24
ACD/LogD (pH 5.5): -3.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 14.7±0.5 10-24cm3
Surface Tension: 58.8±3.0 dyne/cm
Molar Volume: 116.1±3.0 cm3

Click to predict properties on the Chemicalize site


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