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Substance Name: (3-Nitrophenoxy)acetic acid
RN: 1878-88-2
InChIKey: BNRRQAASFDGMMQ-UHFFFAOYSA-N

Molecular Formula

  • C8-H7-N-O5

Molecular Weight

  • 197.1453
 
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Names and Synonyms

Synonyms

  • EINECS 217-528-4
  • NSC 193418

Systematic Name

  • (3-Nitrophenoxy)acetic acid

Registry Numbers

CAS Registry Number

  • 1878-88-2

System Generated Number

  • 0001878882

Structure Descriptors

InChI

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

InChIKey

BNRRQAASFDGMMQ-UHFFFAOYSA-N

Smiles

OC(=O)COc1cccc(c1)[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 2.95 (none) 25 EXP
log P (octanol-water) 1.37 (none)   EXP
Water Solubility 3090 mg/L 25 EST
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 6.67E-12 cm3/molecule-sec 25 EST

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