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Home > Indoles and Oxindole > 19171-18-7
19171-18-7 | 1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-4-nitro-
CAS No: 19171-18-7 Catalog No: AG002FFU MDL No:MFCD01748356
Product Description
Catalog Number:
AG002FFU
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-4-nitro-
CAS Number:
19171-18-7
Molecular Formula:
C13H9N3O6
Molecular Weight:
303.2271
MDL Number:
MFCD01748356
IUPAC Name:
2-(2,6-dioxopiperidin-3-yl)-4-nitroisoindole-1,3-dione
InChI:
InChI=1S/C13H9N3O6/c17-9-5-4-8(11(18)14-9)15-12(19)6-2-1-3-7(16(21)22)10(6)13(15)20/h1-3,8H,4-5H2,(H,14,17,18)
InChI Key:
KVRCAGKHAZRSQX-UHFFFAOYSA-N
SMILES:
O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)cccc2[N+](=O)[O-]
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.049g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.23g/mol
Monoisotopic Mass:
303.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Angiogenesis inhibitors derived from thalidomide. | Bioorganic & medicinal chemistry letters 20051215 |
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