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Home > Indoles and Oxindole > 15174-76-2
15174-76-2 | 2H-Indol-2-one, 1,4,5,6-tetrahydro-3-methyl-1-(phenylmethyl)-
CAS No: 15174-76-2 Catalog No: AG007E0T MDL No:
Product Description
Catalog Number:
AG007E0T
Chemical Name:
2H-Indol-2-one, 1,4,5,6-tetrahydro-3-methyl-1-(phenylmethyl)-
CAS Number:
15174-76-2
Molecular Formula:
C16H17NO
Molecular Weight:
239.3123
IUPAC Name:
1-benzyl-3-methyl-5,6-dihydro-4H-indol-2-one
InChI:
InChI=1S/C16H17NO/c1-12-14-9-5-6-10-15(14)17(16(12)18)11-13-7-3-2-4-8-13/h2-4,7-8,10H,5-6,9,11H2,1H3
InChI Key:
SFZORKUAWRFCQB-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2ccccc2)C2=CCCCC2=C1C
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.318g/mol
Monoisotopic Mass:
239.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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