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Substance Name: Acetic acid, (m-nitrophenyl)-
RN: 1877-73-2
InChIKey: WUKHOVCMWXMOOA-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C8-H7-N-O4

Molecular Weight

  • 181.146
 
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Names and Synonyms

Synonyms

  • (m-Nitrophenyl)acetic acid
  • 3-Nitrobenzeneacetic acid
  • 3-Nitrophenylacetic acid
  • 4-09-00-01687 (Beilstein Handbook Reference)
  • BRN 2050088
  • CCRIS 2337
  • EINECS 217-512-7
  • NSC 93911

Systematic Names

  • 3-Nitrophenylacetic acid
  • Acetic acid, (m-nitrophenyl)-
  • Benzeneacetic acid, 3-nitro- (9CI)
  • m-Nitrophenylacetic acid

Registry Numbers

CAS Registry Number

  • 1877-73-2

System Generated Number

  • 0001877732

Structure Descriptors

InChI

1S/C8H7NO4/c10-8(11)5-6-2-1-3-7(4-6)9(12)13/h1-4H,5H2,(H,10,11)

InChIKey

WUKHOVCMWXMOOA-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)[N+](=O)[O-])CC(O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 117-120 deg C   EXP
pKa Dissociation Constant 3.97 (none) 25 EXP
log P (octanol-water) 1.45 (none)   EXP
Water Solubility 3180 mg/L 25 EST
Vapor Pressure 2.91E-05 mm Hg 25 EST
Henry's Law Constant 1.74E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.50E-12 cm3/molecule-sec 25 EST

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