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91956-43-3 | 2-Butanone, 4-(1-methyl-1H-indol-3-yl)-
CAS No: 91956-43-3 Catalog No: AG006IA3 MDL No:
Product Description
Catalog Number:
AG006IA3
Chemical Name:
2-Butanone, 4-(1-methyl-1H-indol-3-yl)-
CAS Number:
91956-43-3
Molecular Formula:
C13H15NO
Molecular Weight:
201.2643
IUPAC Name:
4-(1-methylindol-3-yl)butan-2-one
InChI:
InChI=1S/C13H15NO/c1-10(15)7-8-11-9-14(2)13-6-4-3-5-12(11)13/h3-6,9H,7-8H2,1-2H3
InChI Key:
IAHRGKFNNBJULE-UHFFFAOYSA-N
SMILES:
CC(=O)CCc1cn(c2c1cccc2)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:
201.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.269g/mol
Monoisotopic Mass:
201.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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