3-Acetyl-1-methylindole - CAS 19012-02-3

Catalog:	BB014699
Product Name:	3-Acetyl-1-methylindole
CAS:	19012-02-3
Synonyms:	1-(1-methyl-3-indolyl)ethanone; 1-(1-methylindol-3-yl)ethanone

Technical Data

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Computed Properties

IUPAC Name:	1-(1-methylindol-3-yl)ethanone
Description:	3-Acetyl-1-methylindole (CAS# 19012-02-3) is a useful research chemical.
Molecular Weight:	173.21
Molecular Formula:	C11H11NO
Canonical SMILES:	CC(=O)C1=CN(C2=CC=CC=C21)C
InChI:	InChI=1S/C11H11NO/c1-8(13)10-7-12(2)11-6-4-3-5-9(10)11/h3-7H,1-2H3
InChI Key:	HYLFRICFKVJJOZ-UHFFFAOYSA-N
MDL:	MFCD00540232
LogP:	2.38090

Publication Number	Title	Priority Date
CN-112479998-A	Dihydroquinoline fluorescent probe and preparation method and application thereof	20201116
US-2021238226-A1	Methods and compounds for the treatment of genetic disease	20180522
US-2021284629-A1	Methods and compounds for the treatment of genetic disease	20180509
US-2021283265-A1	Methods and compounds for the treatment of genetic disease	20180420
US-2021087208-A1	Novel curcuminoid-inspired synthetic compounds as anti-tumor agents	20170616

PMID	Publication Date	Title	Journal
19875329	20091201	Formyl- and acetylindols: vibrational spectroscopy of an expectably pharmacologically active compound family	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

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Complexity:	214
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.084063974
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	173.084063974
Rotatable Bond Count:	1
Topological Polar Surface Area:	22
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9