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91956-44-4 | 2-Butanone, 4-(3-methyl-1H-indol-2-yl)-
CAS No: 91956-44-4 Catalog No: AG006IA2 MDL No:
Product Description
Catalog Number:
AG006IA2
Chemical Name:
2-Butanone, 4-(3-methyl-1H-indol-2-yl)-
CAS Number:
91956-44-4
Molecular Formula:
C13H15NO
Molecular Weight:
201.2643
IUPAC Name:
4-(3-methyl-1H-indol-2-yl)butan-2-one
InChI:
InChI=1S/C13H15NO/c1-9(15)7-8-12-10(2)11-5-3-4-6-13(11)14-12/h3-6,14H,7-8H2,1-2H3
InChI Key:
KETDJZDXONKARK-UHFFFAOYSA-N
SMILES:
CC(=O)CCc1[nH]c2c(c1C)cccc2
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:
1
Isotope Atom Count:
0
Molecular Weight:
201.269g/mol
Monoisotopic Mass:
201.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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