2H-1-Benzopyran-2-one,4-hydroxy-3-[(1S)-1-(4-nitrophenyl)-3-oxobutyl]-

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Catalog Number
ACM66556783
Product Name
2H-1-Benzopyran-2-one,4-hydroxy-3-[(1S)-1-(4-nitrophenyl)-3-oxobutyl]-
Structure
Structure
CAS
66556-78-3
Category
Heterocyclic Organic Compound
Synonyms
(S)-4-Hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-1-benzopyran-2-one; (-)-3-(α-Acetonyl-4-nitrobenzyl)-4-hydroxycoumarin; (-)-Acenocoumarin; (S)-(-)-Acenocoumarol; (S)-(-)-Nicoumalone;
IUPAC Name
2-hydroxy-3-[(1S)-1-(4-nitrophenyl)-3-oxobutyl]chromen-4-one
Molecular Weight
353.3255
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 Key
WWBYDEQHYAEHLT-HNNXBMFYSA-N
Boiling Point
546.9ºC at 760mmHg
Flash Point
284.6ºC
Density
1.427g/cm³
Appearance
N/A
Exact Mass
353.09000
H-Bond Acceptor
6
H-Bond Donor
1
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