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Home > Indoles and Oxindole > 89587-17-7
89587-17-7 | 1H-Isoindole-1,3(2H)-dione, 2-[6-(1H-indazol-3-yl)-6-oxohexyl]-
CAS No: 89587-17-7 Catalog No: AG003XT5 MDL No:
Product Description
Catalog Number:
AG003XT5
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[6-(1H-indazol-3-yl)-6-oxohexyl]-
CAS Number:
89587-17-7
Molecular Formula:
C21H19N3O3
Molecular Weight:
361.3939
IUPAC Name:
2-[6-(1H-indazol-3-yl)-6-oxohexyl]isoindole-1,3-dione
InChI:
InChI=1S/C21H19N3O3/c25-18(19-16-10-5-6-11-17(16)22-23-19)12-2-1-7-13-24-20(26)14-8-3-4-9-15(14)21(24)27/h3-6,8-11H,1-2,7,12-13H2,(H,22,23)
InChI Key:
YNFBUGSINVVFPA-UHFFFAOYSA-N
SMILES:
O=C1N(CCCCCC(=O)c2n[nH]c3c2cccc3)C(=O)c2c1cccc2
Properties
Complexity:
569
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.143g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
361.401g/mol
Monoisotopic Mass:
361.143g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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