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Substance Name: Xanthene-9-carboxylic acid
RN: 82-07-5
UNII: 63A81F6A8V
InChIKey: VSBFNCXKYIEYIS-UHFFFAOYSA-N

Note

  • Degradation product of propantheline.

Molecular Formula

  • C14-H10-O3

Molecular Weight

  • 226.23
 
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Names and Synonyms

Name of Substance

  • Xanthene-9-carboxylic acid

Synonyms

  • 9-Xanthenecarboxylic acid
  • EINECS 201-394-9
  • NSC 66208
  • UNII-63A81F6A8V
  • Xanthanoic acid
  • Xanthenecarboxylic acid

Systematic Names

  • 9H-Xanthene-9-carboxylic acid (9CI)
  • Xanthene-9-carboxylic acid

Registry Numbers

CAS Registry Number

  • 82-07-5

FDA UNII

  • 63A81F6A8V

System Generated Number

  • 0000082075

Structure Descriptors

InChI

1S/C14H10O3/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13/h1-8,13H,(H,15,16)

InChIKey

VSBFNCXKYIEYIS-UHFFFAOYSA-N

Smiles

c1cc2c(cc1)C(c1c(O2)cccc1)C(O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 217 dec deg C   EXP
log P (octanol-water) 2.23 (none)   EXP
Water Solubility 76.6 mg/L 25 EST
Vapor Pressure 1.77E-06 mm Hg 25 EST
Henry's Law Constant 3.54E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.38E-11 cm3/molecule-sec 25 EST

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