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Substance Name: Coumalic acid
RN: 500-05-0
UNII: OB1JPY343G
InChIKey: ORGPJDKNYMVLFL-UHFFFAOYSA-N

Molecular Formula

  • C6-H4-O4

Molecular Weight

  • 140.094
 
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Names and Synonyms

Name of Substance

  • Coumalic acid

Synonyms

  • 2-Oxopyran-5-carboxylic acid
  • 2-Pentenedioic acid, 4-(hydroxymethylene)-, delta-lactone
  • alpha-Pyrone-5-carboxylic acid
  • Coumalic acid
  • Cumalic acid
  • EINECS 207-899-0
  • NSC 22978
  • UNII-OB1JPY343G

Systematic Names

  • 2-Oxopyran-5-carboxylic acid
  • 2H-Pyran-5-carboxylic acid, 2-oxo-

Registry Numbers

CAS Registry Number

  • 500-05-0

FDA UNII

  • OB1JPY343G

System Generated Number

  • 0000500050

Structure Descriptors

InChI

1S/C6H4O4/c7-5-2-1-4(3-10-5)6(8)9/h1-3H,(H,8,9)

InChIKey

ORGPJDKNYMVLFL-UHFFFAOYSA-N

Smiles

o1c(=O)ccc(C(=O)O)c1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 207.5 dec deg C   EXP
log P (octanol-water) -0.930 (none)   EST
Atmospheric OH Rate Constant 2.38E-11 cm3/molecule-sec 25 EST

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