Phenprocoumon

CAS Registry Number®

435-97-2
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CAS Name

Phenprocoumon

Molecular Formula

C18H16O3

Molecular Mass

280.32

Cite this Page

Phenprocoumon.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=435-97-2 (retrieved 2024-04-23) (CAS RN: 435-97-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    179-180 °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/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3

InChIKey

InChIKey=DQDAYGNAKTZFIW-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 2H-1-Benzopyran-2-one, 4-hydroxy-3-(1-phenylpropyl)-
  • Coumarin, 3-(α-ethylbenzyl)-4-hydroxy-
  • 4-Hydroxy-3-(1-phenylpropyl)-2H-1-benzopyran-2-one
  • 3-(α-Ethylbenzyl)-4-hydroxycoumarin
  • Falithrom

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Deleted or Replaced CAS Registry Numbers

5999-41-7

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