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Home > Indoles and Oxindole > 83558-06-9
83558-06-9 | 1-(4-methylphenyl)-2-phenyl-4,5,6,7-tetrahydro-1H-indol-4-one
CAS No: 83558-06-9 Catalog No: AG00IQIR MDL No:MFCD00232346
Product Description
Catalog Number:
AG00IQIR
Chemical Name:
1-(4-methylphenyl)-2-phenyl-4,5,6,7-tetrahydro-1H-indol-4-one
CAS Number:
83558-06-9
Molecular Formula:
C21H19NO
Molecular Weight:
301.3817
MDL Number:
MFCD00232346
IUPAC Name:
1-(4-methylphenyl)-2-phenyl-6,7-dihydro-5H-indol-4-one
InChI:
InChI=1S/C21H19NO/c1-15-10-12-17(13-11-15)22-19-8-5-9-21(23)18(19)14-20(22)16-6-3-2-4-7-16/h2-4,6-7,10-14H,5,8-9H2,1H3
InChI Key:
PIXIARCMJFGTBC-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1c(cc2c1CCCC2=O)c1ccccc1
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.147g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.389g/mol
Monoisotopic Mass:
301.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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