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Substance Name: Ethyl phenylglyoxylate
RN: 1603-79-8
InChIKey: QKLCQKPAECHXCQ-UHFFFAOYSA-N

Note

  • Simultaneous inhibitor & substrate of carboxylesterase.

Molecular Formula

  • C10-H10-O3

Molecular Weight

  • 178.186
 
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Names and Synonyms

Name of Substance

  • Ethyl phenylglyoxylate

Synonyms

  • AI3-10033
  • EC 216-504-0
  • EINECS 216-504-0
  • Ethyl 2-oxo-2-phenylacetate
  • Ethyl benzoylformate
  • Ethyl oxophenylacetate
  • Ethyl phenylglyoxylate
  • NSC 6766

Systematic Names

  • Benzeneacetic acid, alpha-oxo-, ethyl ester
  • Ethyl phenylglyoxylate
  • Glyoxylic acid, phenyl-, ethyl ester (8CI)

Registry Numbers

CAS Registry Number

  • 1603-79-8

System Generated Number

  • 0001603798

Structure Descriptors

InChI

InChI=1S/C10H10O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChIKey

QKLCQKPAECHXCQ-UHFFFAOYSA-N

Smiles

CCOC(=O)C(=O)c1ccccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 256.5 deg C   EXP
log P (octanol-water) 1.980 (none)   EST
Atmospheric OH Rate Constant 3.44E-12 cm3/molecule-sec 25 EST

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