1-(3-Pyridinyl)-1,3-butanedione

CAS Registry Number®

3594-37-4

CAS Name

1-(3-Pyridinyl)-1,3-butanedione

Molecular Formula

C9H9NO2

Molecular Mass

163.17

Cite this Page

1-(3-Pyridinyl)-1,3-butanedione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3594-37-4 (retrieved 2024-11-21) (CAS RN: 3594-37-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    85 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C9H9NO2/c1-7(11)5-9(12)8-3-2-4-10-6-8/h2-4,6H,5H2,1H3

InChIKey

InChIKey=OVPXWZQQDUKDFN-UHFFFAOYSA-N

SMILES

C(CC(C)=O)(=O)C=1C=CC=NC1

Canonical SMILES

O=C(C=1C=NC=CC1)CC(=O)C

Other Names for this Substance

  • 1,3-Butanedione, 1-(3-pyridinyl)-
  • 1,3-Butanedione, 1-(3-pyridyl)-
  • 1-(3-Pyridinyl)-1,3-butanedione
  • Nicotinoylacetone
  • 1-(3-Pyridyl)-1,3-butanedione

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration