ChemSpider 2D Image | 4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoate | C10H8NO5

4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoate

  • Molecular FormulaC10H8NO5
  • Average mass222.175 Da
  • Monoisotopic mass222.040802 Da
  • ChemSpider ID20016009

  • Charge - Charge

More details:

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

4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoat [German] [ACD/IUPAC Name]
4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoate [ACD/IUPAC Name]
4-(2-Amino-3-hydroxyphényl)-2,4-dioxobutanoate [French] [ACD/IUPAC Name]
Benzenebutanoic acid, 2-amino-3-hydroxy-α,γ-dioxo-, ion(1-) [ACD/Index Name]
  • Miscellaneous

    • Chemical Class:

      A dioxo monocarboxylic acid anion that is the conjugate base of 4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid resulting from the deprotonation of the carboxy group. Major species at pH 7.3. ChEBI CHEBI:157756

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

Density:
Boiling Point: 477.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 242.7±28.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.16
ACD/LogD (pH 5.5): -2.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

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