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Substance Name: Methyl coumalate
RN: 6018-41-3
UNII: 1S7TMF0R8T
InChIKey: HHWWWZQYHPFCBY-UHFFFAOYSA-N

Molecular Formula

  • C7-H6-O4

Molecular Weight

  • 154.12
 
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Names and Synonyms

Name of Substance

  • Methyl coumalate

Synonyms

  • Coumalic acid, methyl ester
  • EINECS 227-871-1
  • Methyl coumalate
  • NSC 137387
  • NSC 34627
  • UNII-1S7TMF0R8T

Systematic Names

  • 2H-Pyran-5-carboxylic acid, 2-oxo-, methyl ester (8CI)(9CI)
  • Methyl 2-oxo-2H-pyran-5-carboxylate

Registry Numbers

CAS Registry Number

  • 6018-41-3

FDA UNII

  • 1S7TMF0R8T

System Generated Number

  • 0006018413

Structure Descriptors

InChI

1S/C7H6O4/c1-10-7(9)5-2-3-6(8)11-4-5/h2-4H,1H3

InChIKey

HHWWWZQYHPFCBY-UHFFFAOYSA-N

Smiles

O=C(c1coc(=O)cc1)OC

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.650 (none)   EST
Water Solubility 120 mg/L 37 EXP
Atmospheric OH Rate Constant 2.35E-11 cm3/molecule-sec 25 EST

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