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Search term: OXYOFULKSNCNRY-UHFFFAOYSA-M (Found by InChIKey (full match))

ChemSpider 2D Image | 2-Nitro-4-(2-oxoethyl)phenolate | C8H6NO4


  • Molecular FormulaC8H6NO4
  • Average mass180.138 Da
  • Monoisotopic mass180.030228 Da
  • ChemSpider ID28533515
  • Charge - Charge

More details:

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

2-Nitro-4-(2-oxoethyl)phenolat [German] [ACD/IUPAC Name]
2-Nitro-4-(2-oxoethyl)phenolate [ACD/IUPAC Name]
2-Nitro-4-(2-oxoéthyl)phénolate [French] [ACD/IUPAC Name]
Benzeneacetaldehydato, 4-hydroxy-3-nitro-, ion(1-) [ACD/Index Name]
  • Miscellaneous
    • Chemical Class:

      A phenolate anion that is the conjugate base of 4-hydroxy-3-nitrophenylacetaldehyde; major species at pH 7.3 ChEBI CHEBI:71287

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Boiling Point: 335.4±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.1±3.0 kJ/mol
Flash Point: 151.1±12.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.27
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 8.60
ACD/KOC (pH 5.5): 161.21
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 2.94
ACD/KOC (pH 7.4): 55.22
Polar Surface Area: 86 Å2
Surface Tension:
Molar Volume:

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