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Home > Indoles and Oxindole > 78827-85-7
78827-85-7 | 1H-Indole, 1-acetyl-5-methyl-
CAS No: 78827-85-7 Catalog No: AG005DFM MDL No:MFCD13178450
Product Description
Catalog Number:
AG005DFM
Chemical Name:
1H-Indole, 1-acetyl-5-methyl-
CAS Number:
78827-85-7
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
MDL Number:
MFCD13178450
IUPAC Name:
1-(5-methylindol-1-yl)ethanone
InChI:
InChI=1S/C11H11NO/c1-8-3-4-11-10(7-8)5-6-12(11)9(2)13/h3-7H,1-2H3
InChI Key:
XOEOBALOPJFJOV-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)ccn2C(=O)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:
0
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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