3-Carbethoxycoumarin

CAS Registry Number®

1846-76-0

CAS Name

3-Carbethoxycoumarin

Molecular Formula

C12H10O4

Molecular Mass

218.21

Cite this Page

3-Carbethoxycoumarin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1846-76-0 (retrieved 2024-11-24) (CAS RN: 1846-76-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    92-94 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H10O4/c1-2-15-11(13)9-7-8-5-3-4-6-10(8)16-12(9)14/h3-7H,2H2,1H3

InChIKey

InChIKey=XKHPEMKBJGUYCM-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C1=CC=2C(OC1=O)=CC=CC2

Canonical SMILES

O=C1OC=2C=CC=CC2C=C1C(=O)OCC

Other Names for this Substance

  • 2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, ethyl ester
  • 3-Ethoxycarbonylcoumarin
  • Ethyl 3-coumarincarboxylate
  • 3-Carbethoxycoumarin
  • Ethyl 2-oxo-2H-1-benzopyran-3-carboxylate

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