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Home > Indoles and Oxindole > 162662-87-5
162662-87-5 | 1H-Isoindole-1,3(2H)-dione, 2-(3-methyl-2,6-dioxo-3-piperidinyl)-
CAS No: 162662-87-5 Catalog No: AG001TAL MDL No:
Product Description
Catalog Number:
AG001TAL
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(3-methyl-2,6-dioxo-3-piperidinyl)-
CAS Number:
162662-87-5
Molecular Formula:
C14H12N2O4
Molecular Weight:
272.2561
IUPAC Name:
2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
InChI:
InChI=1S/C14H12N2O4/c1-14(7-6-10(17)15-13(14)20)16-11(18)8-4-2-3-5-9(8)12(16)19/h2-5H,6-7H2,1H3,(H,15,17,20)
InChI Key:
DFCNZYVSWVECOW-UHFFFAOYSA-N
SMILES:
O=C1CCC(C(=O)N1)(C)N1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.08g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.26g/mol
Monoisotopic Mass:
272.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Effect of 3-fluorothalidomide and 3-methylthalidomide enantiomers on tumor necrosis factor production and antitumor responses to the antivascular agent 5,6-dimethylxanthenone-4-acetic acid (DMXAA). | Oncology research 20030101 |
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