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Substance Name: Chelidonic acid
RN: 99-32-1
UNII: T33U4W5K6O
InChIKey: PBAYDYUZOSNJGU-UHFFFAOYSA-N

Molecular Formula

  • C7-H4-O6

Molecular Weight

  • 184.1026
 
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Names and Synonyms

Name of Substance

  • Chelidonic acid

Synonyms

  • 2,6-Dicarboxyl-4-pyrone
  • 4-Oxo-1,4-pyran-2,6-dicarboxylic acid
  • 5-18-08-00646 (Beilstein Handbook Reference)
  • AI3-19253
  • BRN 0163607
  • Chelidonic acid
  • Compound xi*
  • Compound XI* (Cherry and Hageman)
  • EINECS 202-749-0
  • gamma-Pyrone-2,6-dicarboxylic acid
  • Jerva acid
  • Jervaic acid
  • Jervasic acid
  • NSC 3979
  • UNII-T33U4W5K6O

Systematic Names

  • 4-Oxo-4H-pyran-2,6-dicarboxylic acid
  • 4H-Pyran-2,6-dicarboxylic acid, 4-oxo-

Registry Numbers

CAS Registry Number

  • 99-32-1

FDA UNII

  • T33U4W5K6O

System Generated Number

  • 0000099321

Structure Descriptors

InChI

1S/C7H4O6/c8-3-1-4(6(9)10)13-5(2-3)7(11)12/h1-2H,(H,9,10)(H,11,12)

InChIKey

PBAYDYUZOSNJGU-UHFFFAOYSA-N

Smiles

c1(oc(cc(c1)=O)C(O)=O)C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 54, 1954.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 262 deg C   EXP
log P (octanol-water) 1.480 (none)   EST
Water Solubility 1.43E+04 mg/L 25 EXP
Vapor Pressure 9.80E-07 mm Hg 25 EST
Henry's Law Constant 3.70E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.23E-11 cm3/molecule-sec 25 EST

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