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Substance Name: 4-Amino-2-sulfobenzoic acid
RN: 527-76-4
UNII: 0TET501N3W
InChIKey: YPNUYFJLBFZDTE-UHFFFAOYSA-N

Molecular Formula

  • C7-H7-N-O5-S

Molecular Weight

  • 217.2003
 
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Names and Synonyms

Name of Substance

  • 4-Amino-2-sulfobenzoic acid

Synonyms

  • 4-Amino-2-sulfobenzoic acid
  • 4-Amino-2-sulfobenzoic acid [MI]
  • Benzoic acid, 4-amino-2-sulfo-
  • p-Amino-O-sulfobenzoic acid
  • UNII-0TET501N3W

Registry Numbers

CAS Registry Number

  • 527-76-4

FDA UNII

  • 0TET501N3W

System Generated Number

  • 0000527764

Structure Descriptors

InChI

1S/C7H7NO5S/c8-4-1-2-5(7(9)10)6(3-4)14(11,12)13/h1-3H,8H2,(H,9,10)(H,11,12,13)

InChIKey

YPNUYFJLBFZDTE-UHFFFAOYSA-N

Smiles

c1cc(c(cc1N)S(=O)(=O)O)C(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -2.540 (none)   EST
Water Solubility 3000 mg/L 25 EXP
Atmospheric OH Rate Constant 9.18E-12 cm3/molecule-sec 25 EST

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