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Substance Name: Pyromeconic acid
RN: 496-63-9
UNII: 8J0G2X46R7
InChIKey: VEYIMQVTPXPUHA-UHFFFAOYSA-N

Note

  • From herb Dengzhanhua.

Molecular Formula

  • C5-H4-O3

Molecular Weight

  • 112.0836
 
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Names and Synonyms

Name of Substance

  • Pyromeconic acid

Synonyms

  • 3-Hydroxy-4H-pyran-4-one
  • EINECS 207-823-6
  • NSC 78608
  • Pyromeconic acid
  • UNII-8J0G2X46R7

Systematic Names

  • 3-Hydroxy-4H-pyran-4-one
  • 4H-Pyran-4-one, 3-hydroxy-

Registry Numbers

CAS Registry Number

  • 496-63-9

FDA UNII

  • 8J0G2X46R7

System Generated Number

  • 0000496639

Structure Descriptors

InChI

1S/C5H4O3/c6-4-1-2-8-3-5(4)7/h1-3,7H

InChIKey

VEYIMQVTPXPUHA-UHFFFAOYSA-N

Smiles

c1cocc(c1=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.92 (none)   EXP
Water Solubility 6.54E+05 mg/L 25 EST
Vapor Pressure 1.92E-03 mm Hg 25 EST
Henry's Law Constant 4.18E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.18E-11 cm3/molecule-sec 25 EST

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