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Substance Name: 7-Methyluric acid
RN: 612-37-3
UNII: 0040741VCN
InChIKey: YHNNPKUFPWLTOP-UHFFFAOYSA-N

Molecular Formula

  • C6-H6-N4-O3

Molecular Weight

  • 182.138
 
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Names and Synonyms

Name of Substance

  • 7-Methyluric acid

Synonyms

  • 7-Methyluric acid
  • EINECS 210-307-3
  • UNII-0040741VCN

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 612-37-3

FDA UNII

  • 0040741VCN

System Generated Number

  • 0000612373

Structure Descriptors

InChI

1S/C6H6N4O3/c1-10-2-3(8-6(10)13)7-5(12)9-4(2)11/h1H3,(H3,7,8,9,11,12,13)

InChIKey

YHNNPKUFPWLTOP-UHFFFAOYSA-N

Smiles

[nH]1c(=O)[nH]c2[nH]c(=O)n(c2c1=O)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 375 dec deg C   EXP
pKa Dissociation Constant 5.6 (none)   EXP
log P (octanol-water) -1.18E+00 (none)   EXP
Water Solubility 2.68E+04 mg/L 25 EST
Vapor Pressure 3.74E-10 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.