Coumarin 1

CAS Registry Number®

91-44-1

CAS Name

Coumarin 1

Molecular Formula

C14H17NO2

Molecular Mass

231.29

Cite this Page

Coumarin 1.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=12224-03-2 (retrieved 2024-11-22) (CAS RN: 91-44-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    89 °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/C14H17NO2/c1-4-15(5-2)11-6-7-12-10(3)8-14(16)17-13(12)9-11/h6-9H,4-5H2,1-3H3

InChIKey

InChIKey=AFYCEAFSNDLKSX-UHFFFAOYSA-N

SMILES

CC=1C=2C(=CC(N(CC)CC)=CC2)OC(=O)C1

Canonical SMILES

O=C1OC=2C=C(C=CC2C(=C1)C)N(CC)CC

Other Names for this Substance

  • 2H-1-Benzopyran-2-one, 7-(diethylamino)-4-methyl-
  • Coumarin, 7-(diethylamino)-4-methyl-
  • 7-(Diethylamino)-4-methyl-2H-1-benzopyran-2-one
  • 4-Methyl-7-(diethylamino)coumarin
  • 7-(Diethylamino)-4-methylcoumarin

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Deleted or Replaced CAS Registry Numbers

11118-21-1, 12224-03-2, 12651-35-3, 52232-20-9, 58694-55-6, 61968-71-6, 70726-42-0, 71123-71-2, 73201-22-6, 74029-28-0, 86090-68-8, 96538-19-1, 129038-92-2, 1215069-65-0, 2252489-56-6

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