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Substance Name: 4-Oxo-2-pentenoic acid
RN: 4743-82-2
InChIKey: XGTKSWVCNVUVHG-NSCUHMNNSA-N

Molecular Formula

  • C5-H6-O3

Molecular Weight

  • 114.099
 
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Names and Synonyms

Name of Substance

  • 4-Oxo-2-pentenoic acid

Synonyms

  • 3-03-00-01310 (Beilstein Handbook Reference)
  • 3-beta-Acetylacrylic acid
  • 4-Ketopentenic acid
  • Acetylacrylic acid
  • beta-Acetoacrylic acid
  • BRN 1745249
  • EINECS 225-256-2

Systematic Names

  • 2-Pentenoic acid, 4-oxo-
  • 4-Oxopent-2-en-2-oic acid

Registry Numbers

CAS Registry Number

  • 4743-82-2

System Generated Number

  • 0004743822

Structure Descriptors

InChI

1S/C5H6O3/c1-4(6)2-3-5(7)8/h2-3H,1H3,(H,7,8)/b3-2+

InChIKey

XGTKSWVCNVUVHG-NSCUHMNNSA-N

Smiles

C(\C=C\C(=O)C)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 115mg/kg (115mg/kg)   Personal Communication from H. Zollner, Institut fur Biochemie, Der Universitat, Gras, Oct. 23, 1975Vol. 23OCT1975,