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Substance Name: (2-Nitrophenoxy)acetic acid
RN: 1878-87-1
InChIKey: TYHHDWAHJRRYCU-UHFFFAOYSA-N

Molecular Formula

  • C8-H7-N-O5

Molecular Weight

  • 197.145
 
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Names and Synonyms

Synonyms

  • (2-Nitrophenoxy)acetic acid
  • EINECS 217-527-9
  • NSC 37409

Systematic Names

  • (2-Nitrophenoxy)acetic acid
  • Acetic acid, (2-nitrophenoxy)-

Registry Numbers

CAS Registry Number

  • 1878-87-1

System Generated Number

  • 0001878871

Structure Descriptors

InChI

1S/C8H7NO5/c10-8(11)5-14-7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H,10,11)

InChIKey

TYHHDWAHJRRYCU-UHFFFAOYSA-N

Smiles

c1(c(cccc1)[N+](=O)[O-])OCC(O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 2.9 (none) 25 EXP
log P (octanol-water) 1.13 (none)   EXP
Water Solubility 1900 mg/L 20 EXP
Vapor Pressure 1.42E-05 mm Hg 25 EST
Henry's Law Constant 6.62E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.48E-12 cm3/molecule-sec 25 EST

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