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Home > Indoles and Oxindole > 113604-66-3
113604-66-3 | 1H-Indole-2,4-dione, 3,5,6,7-tetrahydro-1-phenyl-
CAS No: 113604-66-3 Catalog No: AG000950 MDL No:
Product Description
Catalog Number:
AG000950
Chemical Name:
1H-Indole-2,4-dione, 3,5,6,7-tetrahydro-1-phenyl-
CAS Number:
113604-66-3
Molecular Formula:
C14H13NO2
Molecular Weight:
227.2585
IUPAC Name:
1-phenyl-3,5,6,7-tetrahydroindole-2,4-dione
InChI:
InChI=1S/C14H13NO2/c16-13-8-4-7-12-11(13)9-14(17)15(12)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChI Key:
UZZHBUGRTLYZMX-UHFFFAOYSA-N
SMILES:
O=C1CC2=C(N1c1ccccc1)CCCC2=O
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.263g/mol
Monoisotopic Mass:
227.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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