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Substance Name: 3-Acetamidobenzoic acid
RN: 587-48-4
InChIKey: RGDPZMQZWZMONQ-UHFFFAOYSA-N

Molecular Formula

  • C9-H9-N-O3

Molecular Weight

  • 179.174
 
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Names and Synonyms

Name of Substance

  • 3-Acetamidobenzoic acid
  • N-Acetyl-m-aminobenzoic acid

Synonyms

  • 3-Acetamidobenzoic acid
  • Benzoic acid, m-acetamido-
  • EINECS 209-600-9
  • m-Acetylaminobenzoic acid
  • N-Acetyl-m-aminobenzoic acid
  • NSC 4001

Systematic Names

  • 3-Acetamidobenzoic acid
  • Benzoic acid, 3-(acetylamino)-

Registry Numbers

CAS Registry Number

  • 587-48-4

Other Registry Number

  • 861510-59-0

Related Registry Number

  • 67011-40-9 (mono-hydrochloride salt)

System Generated Number

  • 0000587484

Structure Descriptors

InChI

1S/C9H9NO3/c1-6(11)10-8-4-2-3-7(5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)

InChIKey

RGDPZMQZWZMONQ-UHFFFAOYSA-N

Smiles

OC(=O)c1cc(NC(=O)C)ccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.32 (none)   EXP
Water Solubility 4150 mg/L 25 EST
Vapor Pressure 7.14E-07 mm Hg 25 EST
Henry's Law Constant 1.24E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.01E-12 cm3/molecule-sec 25 EST

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