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Substance Name: 1-Methyluric acid
RN: 708-79-2
UNII: 2WS4HQ639J
InChIKey: QFDRTQONISXGJA-UHFFFAOYSA-N

Molecular Formula

  • C6-H6-N4-O3

Molecular Weight

  • 182.1384
 
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Names and Synonyms

Name of Substance

  • 1-Methyluric acid

Synonyms

  • EINECS 211-905-7
  • UNII-2WS4HQ639J

Systematic Name

  • 7,9-Dihydro-1-methyl-1H-purine-2,6,8(3H)-trione

Registry Numbers

CAS Registry Number

  • 708-79-2

FDA UNII

  • 2WS4HQ639J

System Generated Number

  • 0000708792

Structure Descriptors

InChI

1S/C6H6N4O3/c1-10-4(11)2-3(9-6(10)13)8-5(12)7-2/h1H3,(H,9,13)(H2,7,8,12)

InChIKey

QFDRTQONISXGJA-UHFFFAOYSA-N

Smiles

Cn1c(=O)c2c([nH]c(=O)[nH]2)[nH]c1=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.57 (none)   EXP
Water Solubility 5000 mg/L   EXP
Vapor Pressure 3.47E-09 mm Hg 25 EST
Henry's Law Constant 2.63E-17 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.29E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.