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Substance Name: 1H-Imidazole-5-carboxylic acid, 1-methyl-2-nitro, methyl ester
RN: 40361-79-3
InChIKey: BQTWOZOPNUFRHG-UHFFFAOYSA-N

Molecular Formula

  • C6-H7-N3-O4

Molecular Weight

  • 185.1383
 
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Names and Synonyms

  • 1H-Imidazole-5-carboxylic acid, 1-methyl-2-nitro, methyl ester

Registry Numbers

CAS Registry Number

  • 40361-79-3

System Generated Number

  • 0040361793

Structure Descriptors

InChI

1S/C6H7N3O4/c1-8-4(5(10)13-2)3-7-6(8)9(11)12/h3H,1-2H3

InChIKey

BQTWOZOPNUFRHG-UHFFFAOYSA-N

Smiles

COC(=O)c1cnc([N+](=O)[O-])n1C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.51 (none)   EXP
Water Solubility 7770 mg/L 25 EST
Vapor Pressure 2.41E-05 mm Hg 25 EST
Henry's Law Constant 2.04E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.35E-12 cm3/molecule-sec 25 EST

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