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Home > Indoles and Oxindole > 827026-45-9
827026-45-9 | 2,6-Piperidinedione,3-(1,3-dihydro-4-nitro-1-oxo-2H-isoindol-2-yl)-
CAS No: 827026-45-9 Catalog No: AG0036GJ MDL No:MFCD11977267
Product Description
Catalog Number:
AG0036GJ
Chemical Name:
2,6-Piperidinedione,3-(1,3-dihydro-4-nitro-1-oxo-2H-isoindol-2-yl)-
CAS Number:
827026-45-9
Molecular Formula:
C13H11N3O5
Molecular Weight:
289.2435
MDL Number:
MFCD11977267
IUPAC Name:
3-(7-nitro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
InChI:
InChI=1S/C13H11N3O5/c17-11-5-4-10(12(18)14-11)15-6-8-7(13(15)19)2-1-3-9(8)16(20)21/h1-3,10H,4-6H2,(H,14,17,18)
InChI Key:
JKPJLYIGKKDZDT-UHFFFAOYSA-N
SMILES:
O=C1CCC(C(=O)N1)N1Cc2c(C1=O)cccc2[N+](=O)[O-]
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.07g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.247g/mol
Monoisotopic Mass:
289.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Angiogenesis inhibitors derived from thalidomide. | Bioorganic & medicinal chemistry letters 20051215 |
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