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Home > Indoles and Oxindole > 19012-02-3
19012-02-3 | Ethanone, 1-(1-methyl-1H-indol-3-yl)-
CAS No: 19012-02-3 Catalog No: AG002EC0 MDL No:MFCD00540232
Product Description
Catalog Number:
AG002EC0
Chemical Name:
Ethanone, 1-(1-methyl-1H-indol-3-yl)-
CAS Number:
19012-02-3
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
MDL Number:
MFCD00540232
IUPAC Name:
1-(1-methylindol-3-yl)ethanone
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
SMILES:
CC(=O)c1cn(c2c1cccc2)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Formyl- and acetylindols: vibrational spectroscopy of an expectably pharmacologically active compound family. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20091201 |
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