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Substance Name: 2-Pentenedioic acid, 1,5-diethyl ester
RN: 2049-67-4
InChIKey: JHCKGVJZNIWNJK-AATRIKPKSA-N

Molecular Formula

  • C9-H14-O4

Molecular Weight

  • 186.206
 
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Names and Synonyms

Synonyms

  • 2-Pentenedioic acid, diethyl ester
  • AI3-52336
  • Diethyl glutaconate
  • EINECS 218-069-2
  • Glutaconic acid, diethyl ester
  • NSC 62678

Systematic Names

  • 2-Pentenedioic acid, 1,5-diethyl ester
  • 2-Pentenedioic acid, diethyl ester
  • Diethyl pent-2-enedioate

Registry Numbers

CAS Registry Number

  • 2049-67-4

System Generated Number

  • 0002049674

Structure Descriptors

InChI

1S/C9H14O4/c1-3-12-8(10)6-5-7-9(11)13-4-2/h5-6H,3-4,7H2,1-2H3/b6-5+

InChIKey

JHCKGVJZNIWNJK-AATRIKPKSA-N

Smiles

O=C(OCC)\C=C\CC(=O)OCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 237 deg C   EXP
log P (octanol-water) 1.660 (none)   EST
Atmospheric OH Rate Constant 2.34E-11 cm3/molecule-sec 25 EST

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