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Search term: RSQRDVPENVGBIX-SSDOTTSWSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2R)-2-Ethyl-3-oxo-1,2,3,4-tetrahydro-6-quinoxalinecarboxylic acid | C11H12N2O3

(2R)-2-Ethyl-3-oxo-1,2,3,4-tetrahydro-6-quinoxalinecarboxylic acid

  • Molecular FormulaC11H12N2O3
  • Average mass220.225 Da
  • Monoisotopic mass220.084793 Da
  • ChemSpider ID58923696

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Ethyl-3-oxo-1,2,3,4-tetrahydro-6-chinoxalincarbonsäure [German] [ACD/IUPAC Name]
(2R)-2-Ethyl-3-oxo-1,2,3,4-tetrahydro-6-quinoxalinecarboxylic acid [ACD/IUPAC Name]
(2r)-2-Ethyl-3-Oxo-1,2,3,4-Tetrahydroquinoxaline-6-Carboxylic Acid
6-Quinoxalinecarboxylic acid, 2-ethyl-1,2,3,4-tetrahydro-3-oxo-, (2R)- [ACD/Index Name]
Acide (2R)-2-éthyl-3-oxo-1,2,3,4-tétrahydro-6-quinoxalinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 476.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 242.2±28.7 °C
Index of Refraction: 1.564
Molar Refractivity: 56.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.11
ACD/KOC (pH 5.5): 19.16
ACD/LogD (pH 7.4): -0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 174.9±3.0 cm3

Click to predict properties on the Chemicalize site


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