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Home > Indoles and Oxindole > 113604-75-4
113604-75-4 | 1H-Indole-2,4-dione, 3,5,6,7-tetrahydro-6,6-dimethyl-1-phenyl-
CAS No: 113604-75-4 Catalog No: AG00094Z MDL No:
Product Description
Catalog Number:
AG00094Z
Chemical Name:
1H-Indole-2,4-dione, 3,5,6,7-tetrahydro-6,6-dimethyl-1-phenyl-
CAS Number:
113604-75-4
Molecular Formula:
C16H17NO2
Molecular Weight:
255.3117
IUPAC Name:
6,6-dimethyl-1-phenyl-5,7-dihydro-3H-indole-2,4-dione
InChI:
InChI=1S/C16H17NO2/c1-16(2)9-13-12(14(18)10-16)8-15(19)17(13)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChI Key:
YCCZXXGGDRXCOC-UHFFFAOYSA-N
SMILES:
O=C1CC2=C(N1c1ccccc1)CC(CC2=O)(C)C
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.317g/mol
Monoisotopic Mass:
255.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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