ChemSpider 2D Image | 9-methylxanthinate | C7H5N4O4

9-methylxanthinate

  • Molecular FormulaC7H5N4O4
  • Average mass209.139 Da
  • Monoisotopic mass209.031631 Da
  • ChemSpider ID25941389

  • Charge - Charge

More details:

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

1H-Purine-1-carboxylic acid, 2,3,6,9-tetrahydro-9-methyl-2,6-dioxo-, ion(1-) [ACD/Index Name]
9-Methyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-1-carboxylat [German] [ACD/IUPAC Name]
9-Methyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-1-carboxylate [ACD/IUPAC Name]
9-Méthyl-2,6-dioxo-2,3,6,9-tétrahydro-1H-purine-1-carboxylate [French] [ACD/IUPAC Name]
9-methylxanthinate

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -2.61
ACD/LogD (pH 5.5): -5.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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