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Home > Indoles and Oxindole > 70957-04-9
70957-04-9 | 1H-Indole, 1-(2,2-dimethyl-1-oxopropyl)-
CAS No: 70957-04-9 Catalog No: AG005FKG MDL No:
Product Description
Catalog Number:
AG005FKG
Chemical Name:
1H-Indole, 1-(2,2-dimethyl-1-oxopropyl)-
CAS Number:
70957-04-9
Molecular Formula:
C13H15NO
Molecular Weight:
201.2643
IUPAC Name:
1-indol-1-yl-2,2-dimethylpropan-1-one
InChI:
InChI=1S/C13H15NO/c1-13(2,3)12(15)14-9-8-10-6-4-5-7-11(10)14/h4-9H,1-3H3
InChI Key:
DTRSVKLNWUNCQE-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)n1ccc2c1cccc2
Properties
Complexity:
254
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:
1
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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