Coumetarol

CAS Registry Number®

4366-18-1

CAS Name

Coumetarol

Molecular Formula

C21H16O7

Molecular Mass

380.35

Cite this Page

Coumetarol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4366-18-1 (retrieved 2024-11-22) (CAS RN: 4366-18-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    156-157 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C21H16O7/c1-26-10-13(16-18(22)11-6-2-4-8-14(11)27-20(16)24)17-19(23)12-7-3-5-9-15(12)28-21(17)25/h2-9,13,22-23H,10H2,1H3

InChIKey

InChIKey=BUCJFFQZPGTGPX-UHFFFAOYSA-N

SMILES

C(COC)(C1=C(O)C=2C(OC1=O)=CC=CC2)C3=C(O)C=4C(OC3=O)=CC=CC4

Canonical SMILES

O=C1OC=2C=CC=CC2C(O)=C1C(C=3C(=O)OC=4C=CC=CC4C3O)COC

Other Names for this Substance

  • 2H-1-Benzopyran-2-one, 3,3′-(2-methoxyethylidene)bis[4-hydroxy-
  • Coumarin, 3,3′-(2-methoxyethylidene)bis[4-hydroxy-
  • 3,3′-(2-Methoxyethylidene)bis[4-hydroxy-2H-1-benzopyran-2-one]
  • 2,2-Bis(4-hydroxy-3-coumarinyl)-1-methoxyethane
  • Coumetarol

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