ChemSpider 2D Image | 3,5-Dioxo-1,2,4-triazinane-1-carboxylic acid | C4H5N3O4

3,5-Dioxo-1,2,4-triazinane-1-carboxylic acid

  • Molecular FormulaC4H5N3O4
  • Average mass159.100 Da
  • Monoisotopic mass159.028000 Da
  • ChemSpider ID28569864

More details:

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

1,2,4-Triazine-1(2H)-carboxylic acid, tetrahydro-3,5-dioxo- [ACD/Index Name]
3,5-Dioxo-1,2,4-triazinan-1-carbonsäure [German] [ACD/IUPAC Name]
3,5-Dioxo-1,2,4-triazinane-1-carboxylic acid [ACD/IUPAC Name]
Acide 3,5-dioxo-1,2,4-triazinane-1-carboxylique [French] [ACD/IUPAC Name]
1,2,4-triazine-1(2h)-carboxylic acid,tetrahydro-3,5-dioxo-
1,2,4-TRIAZINE-1(2H)-CARBOXYLICACID, TETRAHYDRO-3,5-DIOXO-
775229-16-8 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.556
Molar Refractivity: 30.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -2.18
ACD/LogD (pH 5.5): -3.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 99 Å2
Polarizability: 12.1±0.5 10-24cm3
Surface Tension: 71.7±3.0 dyne/cm
Molar Volume: 94.8±3.0 cm3

Click to predict properties on the Chemicalize site


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