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Substance Name: Ethyl coumalate
RN: 5942-96-1
UNII: M89WUK45OA
InChIKey: HXIHISRWARGVBG-UHFFFAOYSA-N

Molecular Weight

  • 168.1472
 
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Names and Synonyms

Name of Substance

  • Ethyl coumalate

Synonyms

  • 2H-Pyran-5-carboxylic acid, 2-oxo-, ethyl ester
  • Coumalic acid ethyl ester [MI]
  • Coumalic acid, ethyl ester
  • NSC-407490
  • UNII-M89WUK45OA

Registry Numbers

CAS Registry Number

  • 5942-96-1

FDA UNII

  • M89WUK45OA

System Generated Number

  • 0005942961

Structure Descriptors

InChI

1S/C8H8O4/c1-2-11-8(10)6-3-4-7(9)12-5-6/h3-5H,2H2,1H3

InChIKey

HXIHISRWARGVBG-UHFFFAOYSA-N

Smiles

CCOC(=O)c1ccc(=O)oc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.160 (none)   EST
Water Solubility 1.69E+04 mg/L 37 EXP
Atmospheric OH Rate Constant 2.49E-11 cm3/molecule-sec 25 EST

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