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Substance Name: 5-Nitroquinaldic acid
RN: 525-47-3
UNII: 3D55B5O273
InChIKey: PHELEJSJZGCLEJ-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C10-H6-N2-O4

Molecular Weight

  • 218.167
 
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Names and Synonyms

Name of Substance

  • 5-Nitroquinaldic acid

Synonyms

  • 0-22-00-00073 (Beilstein Handbook Reference)
  • 5-Nitro-2-quinolinecarboxylic acid
  • 5-Nitroquinaldic acid
  • 5-Nitroquinaldinic acid
  • BRN 0188433
  • EINECS 208-372-8
  • NSC 5339
  • UNII-3D55B5O273

Systematic Names

  • 2-Quinolinecarboxylic acid, 5-nitro- (9CI)
  • 5-Nitroquinoline-2-carboxylic acid
  • Quinaldic acid, 5-nitro-

Registry Numbers

CAS Registry Number

  • 525-47-3

FDA UNII

  • 3D55B5O273

System Generated Number

  • 0000525473

Structure Descriptors

InChI

1S/C10H6N2O4/c13-10(14)8-5-4-6-7(11-8)2-1-3-9(6)12(15)16/h1-5H,(H,13,14)

InChIKey

PHELEJSJZGCLEJ-UHFFFAOYSA-N

Smiles

c12c(nc(C(O)=O)cc2)cccc1[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 277 dec deg C   EXP
log P (octanol-water) 1.840 (none)   EST
Atmospheric OH Rate Constant 9.98E-13 cm3/molecule-sec 25 EST

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