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Home > Indoles and Oxindole > 116176-90-0
116176-90-0 | 1-(5-METHYL-1-METHYL-1H-INDOL-3-YL)-ETHANONE
CAS No: 116176-90-0 Catalog No: AG01DV0L MDL No:MFCD18907669
Product Description
Catalog Number:
AG01DV0L
Chemical Name:
1-(5-METHYL-1-METHYL-1H-INDOL-3-YL)-ETHANONE
CAS Number:
116176-90-0
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
MDL Number:
MFCD18907669
IUPAC Name:
1-(1,5-dimethylindol-3-yl)ethanone
InChI:
InChI=1S/C12H13NO/c1-8-4-5-12-10(6-8)11(9(2)14)7-13(12)3/h4-7H,1-3H3
InChI Key:
URRZIKCELMKUNK-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(cn2C)C(=O)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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