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Home > Indoles and Oxindole > 91959-45-4
91959-45-4 | 1H-Isoindole-1,3(2H)-dione, 2-(4-methyl-1-piperazinyl)-
CAS No: 91959-45-4 Catalog No: AG006IA0 MDL No:
Product Description
Catalog Number:
AG006IA0
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(4-methyl-1-piperazinyl)-
CAS Number:
91959-45-4
Molecular Formula:
C13H15N3O2
Molecular Weight:
245.2771
IUPAC Name:
2-(4-methylpiperazin-1-yl)isoindole-1,3-dione
InChI:
InChI=1S/C13H15N3O2/c1-14-6-8-15(9-7-14)16-12(17)10-4-2-3-5-11(10)13(16)18/h2-5H,6-9H2,1H3
InChI Key:
NUSVBOSPXORUNE-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)N1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.282g/mol
Monoisotopic Mass:
245.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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