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Home > Indoles and Oxindole > 67600-60-6
67600-60-6 | 1H-Isoindole-1,3(2H)-dione, 2-(3-methyl-2,5-dioxocyclohexyl)-
CAS No: 67600-60-6 Catalog No: AG006DFV MDL No:
Product Description
Catalog Number:
AG006DFV
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(3-methyl-2,5-dioxocyclohexyl)-
CAS Number:
67600-60-6
Molecular Formula:
C15H13NO4
Molecular Weight:
271.2680
IUPAC Name:
2-(3-methyl-2,5-dioxocyclohexyl)isoindole-1,3-dione
InChI:
InChI=1S/C15H13NO4/c1-8-6-9(17)7-12(13(8)18)16-14(19)10-4-2-3-5-11(10)15(16)20/h2-5,8,12H,6-7H2,1H3
InChI Key:
FAGDJXBLFGEWQW-UHFFFAOYSA-N
SMILES:
CC1CC(=O)CC(C1=O)N1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.084g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.272g/mol
Monoisotopic Mass:
271.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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