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Substance Name: Isocinchomeronic acid
RN: 100-26-5
UNII: 4K1KGR926X
InChIKey: LVPMIMZXDYBCDF-UHFFFAOYSA-N

Molecular Formula

  • C7-H5-N-O4

Molecular Weight

  • 167.12
 
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Names and Synonyms

Name of Substance

  • 2,5-Pyridinedicarboxylic acid
  • Isocinchomeronic acid

Synonyms

  • AI3-19238
  • EINECS 202-834-2
  • Isocinchomeronic acid
  • NSC 177
  • Pyridine 2,5-dicarboxylate
  • Pyridine-2,5-dicarboxylic acid
  • UNII-4K1KGR926X

Systematic Name

  • 2,5-Pyridinedicarboxylic acid

Registry Numbers

CAS Registry Number

  • 100-26-5

FDA UNII

  • 4K1KGR926X

Other Registry Number

  • 1355602-04-8

System Generated Number

  • 0000100265

Structure Descriptors

InChI

InChI=1S/C7H5NO4/c9-6(10)4-1-2-5(7(11)12)8-3-4/h1-3H,(H,9,10)(H,11,12)

InChIKey

LVPMIMZXDYBCDF-UHFFFAOYSA-N

Smiles

OC(=O)c1ccc(nc1)C(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 254 deg C   EXP
log P (octanol-water) 0.570 (none)   EST
Water Solubility 1200 mg/L 25 EXP
Vapor Pressure 6.10E-06 mm Hg 25 EST
Henry's Law Constant 2.86E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.08E-12 cm3/molecule-sec 25 EST

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