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Substance Name: 3-Oxo-3-phenylpropyne
RN: 3623-15-2
InChIKey: JITPLZPWKYUTDM-UHFFFAOYSA-N

Note

  • Active-site derived irreversible hydroxynitrile lyase inhibitor.

Molecular Formula

  • C9-H6-O

Molecular Weight

  • 130.145
 
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Names and Synonyms

Name of Substance

  • 3-Oxo-3-phenylpropyne

Synonyms

  • 1-Phenyl-2-propyn-1-one
  • Benzoylacetylene
  • Ethyne, benzoyl-
  • Ethynyl phenyl ketone
  • NSC 140267
  • Phenyl ethynyl ketone
  • Propioloylbenzene
  • Propynophenone

Systematic Names

  • 2-Propyn-1-one, 1-phenyl- (9CI)
  • Propiolophenone (8CI)

Registry Numbers

CAS Registry Number

  • 3623-15-2

System Generated Number

  • 0003623152

Structure Descriptors

InChI

1S/C9H6O/c1-2-9(10)8-6-4-3-5-7-8/h1,3-7H

InChIKey

JITPLZPWKYUTDM-UHFFFAOYSA-N

Smiles

c1ccc(C(=O)C#C)cc1