(±)-Acenocoumarol

CAS Registry Number®

152-72-7

CAS Name

(±)-Acenocoumarol

Molecular Formula

C19H15NO6

Molecular Mass

353.33

Cite this Page

(±)-Acenocoumarol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=152-72-7 (retrieved 2024-11-24) (CAS RN: 152-72-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    196-199 °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/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3

InChIKey

InChIKey=VABCILAOYCMVPS-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C1OC=2C=CC=CC2C(O)=C1C(C3=CC=C(C=C3)N(=O)=O)CC(=O)C

Other Names for this Substance

  • 2H-1-Benzopyran-2-one, 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-
  • Acenocoumarol
  • Coumarin, 3-(α-acetonyl-p-nitrobenzyl)-4-hydroxy-
  • 4-Hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-1-benzopyran-2-one
  • G 23,350

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Deleted or Replaced CAS Registry Numbers

70897-81-3

CAS INSIGHTSTM
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