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Home > Indoles and Oxindole > 830927-89-4
830927-89-4 | 1H-Benz[f]indole-4,9-dione, 2-methyl-3-(3-methyl-1-oxobutyl)-1-phenyl-
CAS No: 830927-89-4 Catalog No: AG004WRY MDL No:
Product Description
Catalog Number:
AG004WRY
Chemical Name:
1H-Benz[f]indole-4,9-dione, 2-methyl-3-(3-methyl-1-oxobutyl)-1-phenyl-
CAS Number:
830927-89-4
Molecular Formula:
C24H21NO3
Molecular Weight:
371.4284
IUPAC Name:
2-methyl-3-(3-methylbutanoyl)-1-phenylbenzo[f]indole-4,9-dione
InChI:
InChI=1S/C24H21NO3/c1-14(2)13-19(26)20-15(3)25(16-9-5-4-6-10-16)22-21(20)23(27)17-11-7-8-12-18(17)24(22)28/h4-12,14H,13H2,1-3H3
InChI Key:
PKIBZXOSZHJNOR-UHFFFAOYSA-N
SMILES:
CC(CC(=O)c1c(C)n(c2c1C(=O)c1ccccc1C2=O)c1ccccc1)C
Properties
Complexity:
636
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.152g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.436g/mol
Monoisotopic Mass:
371.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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