Valone

CAS Registry Number®

83-28-3
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CAS Name

Valone

Molecular Formula

C14H14O3

Molecular Mass

230.26

Cite this Page

Valone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=83-28-3 (retrieved 2024-05-18) (CAS RN: 83-28-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    68-69 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C14H14O3/c1-8(2)7-11(15)12-13(16)9-5-3-4-6-10(9)14(12)17/h3-6,8,12H,7H2,1-2H3

InChIKey

InChIKey=PVWMAOPFDINGAY-UHFFFAOYSA-N

SMILES

C(CC(C)C)(=O)C1C(=O)C=2C(C1=O)=CC=CC2

Canonical SMILES

O=C1C=2C=CC=CC2C(=O)C1C(=O)CC(C)C

Other Names for this Substance

  • 1H-Indene-1,3(2H)-dione, 2-(3-methyl-1-oxobutyl)-
  • 1,3-Indandione, 2-isovaleryl-
  • 2-(3-Methyl-1-oxobutyl)-1H-indene-1,3(2H)-dione
  • Isoval
  • 2-Isovaleryl-1,3-indandione

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