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Isocoumarin

CAS Registry Number®

491-31-6

CAS Name

Isocoumarin

Molecular Formula

C9H6O2

Molecular Mass

146.14

Cite this Page

Isocoumarin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=491-31-6 (retrieved 2024-12-24) (CAS RN: 491-31-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    286 °C

  • Melting Point (1)

    47 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C9H6O2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H

InChIKey

InChIKey=IQZZFVDIZRWADY-UHFFFAOYSA-N

SMILES

O=C1C=2C(C=CO1)=CC=CC2

Canonical SMILES

O=C1OC=CC=2C=CC=CC12

Other Names for this Substance

  • 1H-2-Benzopyran-1-one
  • Isocoumarin
  • Benzoic acid, 2-(2-hydroxyethenyl)-, δ-lactone
  • 3,4-Benzo-2-pyrone
  • 1H-Isochromen-1-one

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