ChemSpider 2D Image | 6-Amino-5-oxo-1,3-cyclohexadiene-1-carboxylate | C7H6NO3

6-Amino-5-oxo-1,3-cyclohexadiene-1-carboxylate

  • Molecular FormulaC7H6NO3
  • Average mass152.128 Da
  • Monoisotopic mass152.035324 Da
  • ChemSpider ID26332139

  • Charge - Charge

More details:

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

1,3-Cyclohexadiene-1-carboxylic acid, 6-amino-5-oxo-, ion(1-) [ACD/Index Name]
6-Amino-5-oxo-1,3-cyclohexadien-1-carboxylat [German] [ACD/IUPAC Name]
6-Amino-5-oxo-1,3-cyclohexadiene-1-carboxylate [ACD/IUPAC Name]
6-Amino-5-oxo-1,3-cyclohexadiène-1-carboxylate [French] [ACD/IUPAC Name]
2,3-dihydro-3-oxoanthranilate
6-amino-5-oxocyclohexa-1,3-diene-1-carboxylate
  • Miscellaneous

    • Chemical Class:

      A 4-oxo monocarboxylic acid anion that is 2,3-dihydro-3-oxo tautomer of 3-hydroxyanthranilate and results from the removal of a proton from the carboxylic acid group of 2,3-dihydro-3-oxoanthranilic ac id. ChEBI CHEBI:61150

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

Density:
Boiling Point: 352.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 65.6±6.0 kJ/mol
Flash Point: 166.8±27.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.39
ACD/LogD (pH 5.5): -3.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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