Chemical Properties of Acenocoumarol (CAS 152-72-7)

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

Formula

C19H15NO6

SMILES

CC(=O)CC(c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O

Molecular Weight¹

353.33

CAS

152-72-7

Other Names

2H-1-Benzopyran-2-one, 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-
Coumarin, 3-(«alpha»-acetonyl-p-nitrobenzyl)-4-hydroxy-
Acenocoumarin
Acenocumarol
Acenokumarin
3-(«alpha»-Acetonyl-p-nitrobenzyl)-4-hydroxy-coumarin
3-(«alpha»-Acetonyl-4-nitrobenzyl)-4-hydroxycoumarin
Ascumar
G-23350
4-Hydroxy-3-(1-(4-nitrophenyl)-3-oxobutyl)-2H-1-benzopyran-2-one
Nicoumalone
3-(«alpha»-(p-Nitrophenol)-«beta»-acetylethyl)-4-hydroxycoumarin
Nitrophenylacetylethyl-4-hydroxycoumarine
3-(«alpha»-p-Nitrophenyl-«beta»-acetylethyl)-4-hydroxycoumarin
3-(«alpha»-(4-Nitrophenyl)-«beta»-acetylethyl)-4-hydroxycoumarin
Nitrovarfarian
Nitrowarfarin
Sincoumar
Sinkumar
Sinthrom
Sinthrome
Sintrom
Sintroma
Syncoumar
Syncumar
Syntrom
Zotil
3-(«alpha»-Acetonyl-p-nitrophenyl)-4-hydroxycoumarin
Minisintrom
3-(alpha-Acetonyl-4-nitrobenzyl)-4-hydroxycoumarin
Acitrom
Trombostop

log₁₀WS : Log10 of Water solubility in mol/l.
logP_oct/wat : Octanol/Water partition coefficient.
McVol : McGowan's characteristic volume (ml/mol).
I_np : Non-polar retention indices.
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
log₁₀WS	-9.23		Crippen Calculated Property
logP_oct/wat	3.518		Crippen Calculated Property
McVol	248.190	ml/mol	McGowan Calculated Property
I_np	[1779.00; 1779.00]
I_np	1779.00		NIST
I_np	1779.00		NIST

Similar Compounds

Find more compounds similar to Acenocoumarol.

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