Acenocoumarol

Catalog Number

ACM152727-1

CAS

152-72-7

Structure

Synonyms

3-(alpha-(4'-nitrophenyl)-beta-acetylethyl)-4-hydroxycoumarin;3-(alpha-(p-nitrophenol)-beta-acetylethyl)-4-hydroxycoumarin;3-(alpha-acetonyl-4-nitrobenzyl)-4-hydroxycoumarin;3-(alpha-acetonyl-p-nitrobenzyl)-4-hydroxy-coumari;3-(alpha-acetonyl-p-nitrobenzyl)-4-hydroxy-coumarin;3-(alpha-p-nitrophenyl-beta-acetylethyl)-4-hydroxycoumarin;4-hydroxy-3-(1-(4-nitrophenyl)-3-oxobutyl)-2h-1-benzopyran-2-on;4-hydroxy-3-(1-(4-nitrophenyl)-3-oxobutyl)-2h-1-benzopyran-2-one

IUPAC Name

4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]chromen-2-one

Molecular Weight

353.33

Molecular Formula

C19H15NO6

Canonical SMILES

CC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(C3=CC=CC=C3OC2=O)O

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

InChI Key

VABCILAOYCMVPS-UHFFFAOYSA-N

Boiling Point

486.76 °C

Melting Point

197 °C

Purity

≥97%

Density

1.3979 g/ml

Appearance

Powder or solid

Storage

-20 °C in the dark

Please kindly note that our products and services are for research use only.