(±)-Acenocoumarol
CAS Registry Number®
152-72-7
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CAS Name
(±)-AcenocoumarolMolecular Formula
C19H15NO6Molecular Mass
353.33Cite this Page
(±)-Acenocoumarol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=152-72-7 (retrieved ) (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
Deleted or Replaced CAS Registry Numbers
70897-81-3
