Coumarin

CAS Registry Number®

91-64-5
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CAS Name

Coumarin

Molecular Formula

C9H6O2

Molecular Mass

146.14

Cite this Page

Coumarin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=91-64-5 (retrieved 2024-05-28) (CAS RN: 91-64-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    301.71 °C
  • Melting Point (1)

    71 °C
  • Density (1)

    0.935 g/cm³ @ Temp: 20 °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/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H

InChIKey

InChIKey=ZYGHJZDHTFUPRJ-UHFFFAOYSA-N

SMILES

O=C1OC=2C(C=C1)=CC=CC2

Canonical SMILES

O=C1OC=2C=CC=CC2C=C1

Other Names for this Substance

  • 2H-1-Benzopyran-2-one
  • Coumarin
  • 1,2-Benzopyrone
  • cis-o-Coumarinic acid lactone
  • Coumarinic anhydride

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