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Home > Indoles and Oxindole > 830924-85-1
830924-85-1 | 1H-Benz[f]indole-4,9-dione, 2-(1-cyclohexen-1-yl)-1-methyl-
CAS No: 830924-85-1 Catalog No: AG005227 MDL No:
Product Description
Catalog Number:
AG005227
Chemical Name:
1H-Benz[f]indole-4,9-dione, 2-(1-cyclohexen-1-yl)-1-methyl-
CAS Number:
830924-85-1
Molecular Formula:
C19H17NO2
Molecular Weight:
291.3438
IUPAC Name:
2-(cyclohexen-1-yl)-1-methylbenzo[f]indole-4,9-dione
InChI:
InChI=1S/C19H17NO2/c1-20-16(12-7-3-2-4-8-12)11-15-17(20)19(22)14-10-6-5-9-13(14)18(15)21/h5-7,9-11H,2-4,8H2,1H3
InChI Key:
KOQDSXGQVMRRNY-UHFFFAOYSA-N
SMILES:
Cn1c(cc2c1C(=O)c1ccccc1C2=O)C1=CCCCC1
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.126g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.35g/mol
Monoisotopic Mass:
291.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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