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Home > Indoles and Oxindole > 303-31-1
303-31-1 | 1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-4-piperidinyl)-
CAS No: 303-31-1 Catalog No: AG002ZJY MDL No:
Product Description
Catalog Number:
AG002ZJY
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-4-piperidinyl)-
CAS Number:
303-31-1
Molecular Formula:
C13H10N2O4
Molecular Weight:
258.2295
IUPAC Name:
2-(2,6-dioxopiperidin-4-yl)isoindole-1,3-dione
InChI:
InChI=1S/C13H10N2O4/c16-10-5-7(6-11(17)14-10)15-12(18)8-3-1-2-4-9(8)13(15)19/h1-4,7H,5-6H2,(H,14,16,17)
InChI Key:
GMEPAZUSFGASQZ-UHFFFAOYSA-N
SMILES:
O=C1N(C2CC(=O)NC(=O)C2)C(=O)c2c1cccc2
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.064g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.233g/mol
Monoisotopic Mass:
258.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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