ChemSpider 2D Image | 1,2,4-TRIAZINE-3-CARBOXYLIC ACID | C4H3N3O2

1,2,4-TRIAZINE-3-CARBOXYLIC ACID

  • Molecular FormulaC4H3N3O2
  • Average mass125.086 Da
  • Monoisotopic mass125.022530 Da
  • ChemSpider ID21784016

More details:

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

1,2,4-Triazin-3-carbonsäure [German] [ACD/IUPAC Name]
1,2,4-TRIAZINE-3-CARBOXYLIC ACID [ACD/Index Name] [ACD/IUPAC Name]
6498-04-0 [RN]
Acide 1,2,4-triazine-3-carboxylique [French] [ACD/IUPAC Name]
[1,2,4]TRIAZINE-3-CARBOXYLIC ACID
1,2,4-triazine-3-carboxylicacid
89033-53-4 [RN]
MFCD08751333 [MDL number]
TS-00003

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

CCRIS 4693 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 402.6±28.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.9±3.0 kJ/mol
    Flash Point: 197.3±24.0 °C
    Index of Refraction: 1.588
    Molar Refractivity: 27.5±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -1.57
    ACD/LogD (pH 5.5): -3.66
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.93
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 76 Å2
    Polarizability: 10.9±0.5 10-24cm3
    Surface Tension: 90.6±3.0 dyne/cm
    Molar Volume: 81.6±3.0 cm3

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