Coumafuryl

CAS Registry Number®

117-52-2

CAS Name

Coumafuryl

Molecular Formula

C17H14O5

Molecular Mass

298.29

Cite this Page

Coumafuryl.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=117-52-2 (retrieved 2024-11-25) (CAS RN: 117-52-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    124 °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/C17H14O5/c1-10(18)9-12(13-7-4-8-21-13)15-16(19)11-5-2-3-6-14(11)22-17(15)20/h2-8,12,19H,9H2,1H3

InChIKey

InChIKey=JFIXKFSJCQNGEK-UHFFFAOYSA-N

SMILES

C(CC(C)=O)(C1=C(O)C=2C(OC1=O)=CC=CC2)C3=CC=CO3

Canonical SMILES

O=C1OC=2C=CC=CC2C(O)=C1C(C=3OC=CC3)CC(=O)C

Other Names for this Substance

  • 2H-1-Benzopyran-2-one, 3-[1-(2-furanyl)-3-oxobutyl]-4-hydroxy-
  • Coumarin, 3-(α-acetonylfurfuryl)-4-hydroxy-
  • 3-[1-(2-Furanyl)-3-oxobutyl]-4-hydroxy-2H-1-benzopyran-2-one
  • 3-(α-Acetonylfurfuryl)-4-hydroxycoumarin
  • 3-(1-Furyl-3-acetylethyl)-4-hydroxycoumarin

View All

Deleted or Replaced CAS Registry Numbers

154670-14-1

CAS INSIGHTSTM
Hourglass and a clock