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Home > Indoles and Oxindole > 188964-68-3
188964-68-3 | 1-Propanone, 2,2-dimethyl-1-[3-(3-methyl-2-buten-1-yl)-1H-indol-1-yl]-
CAS No: 188964-68-3 Catalog No: AG002HLQ MDL No:
Product Description
Catalog Number:
AG002HLQ
Chemical Name:
1-Propanone, 2,2-dimethyl-1-[3-(3-methyl-2-buten-1-yl)-1H-indol-1-yl]-
CAS Number:
188964-68-3
Molecular Formula:
C18H23NO
Molecular Weight:
269.3813
IUPAC Name:
2,2-dimethyl-1-[3-(3-methylbut-2-enyl)indol-1-yl]propan-1-one
InChI:
InChI=1S/C18H23NO/c1-13(2)10-11-14-12-19(17(20)18(3,4)5)16-9-7-6-8-15(14)16/h6-10,12H,11H2,1-5H3
InChI Key:
LIVCMPJZZMBKOX-UHFFFAOYSA-N
SMILES:
CC(=CCc1cn(c2c1cccc2)C(=O)C(C)(C)C)C
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.178g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.388g/mol
Monoisotopic Mass:
269.178g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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