(±)-Warfarin

CAS Registry Number®

81-81-2

CAS Name

(±)-Warfarin

Molecular Formula

C19H16O4

Molecular Mass

308.33

Cite this Page

(±)-Warfarin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=81-81-2 (retrieved 2024-11-21) (CAS RN: 81-81-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    161 °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/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3

InChIKey

InChIKey=PJVWKTKQMONHTI-UHFFFAOYSA-N

SMILES

C(CC(C)=O)(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(=O)C

Other Names for this Substance

  • 2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-
  • Coumarin, 3-(α-acetonylbenzyl)-4-hydroxy-
  • 4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one
  • W.A.R.F. 42
  • 3-(α-Acetonylbenzyl)-4-hydroxycoumarin

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Deleted or Replaced CAS Registry Numbers

5543-56-6, 56573-89-8