Chemical Properties of Ethanone, 1-(1,3-dimethyl-1H-indol-2-yl)- (CAS 16244-26-1)

InChI

InChI=1S/C12H13NO/c1-8-10-6-4-5-7-11(10)13(3)12(8)9(2)14/h4-7H,1-3H3

InChI Key

KMVJHDBDTPGOGY-UHFFFAOYSA-N

Formula

C12H13NO

SMILES

CC(=O)c1c(C)c2ccccc2n1C

Molecular Weight¹

187.24

CAS

16244-26-1

Other Names

• Ketone, 1,3-dimethylindol-2-yl methyl
• 2-Acetyl-1,3-dimethylindole
• 1,3-Dimethyl-2-acetylindole

• 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.

Physical Properties

Property	Value	Unit	Source
log10WS	-5.70		Crippen Calculated Property
logPoct/wat	2.689		Crippen Calculated Property
McVol	152.570	ml/mol	McGowan Calculated Property
Inp	[1811.00; 1852.00]
Inp	1811.00		NIST
Inp	1852.00		NIST

Similar Compounds

Find more compounds similar to Ethanone, 1-(1,3-dimethyl-1H-indol-2-yl)-.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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