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Home > Indoles and Oxindole > 102818-62-2
102818-62-2 | 1H-Isoindole-1,3(2H)-dione, 2-(3-methyl-2-oxo-3-piperidinyl)-
CAS No: 102818-62-2 Catalog No: AG007J62 MDL No:
Product Description
Catalog Number:
AG007J62
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(3-methyl-2-oxo-3-piperidinyl)-
CAS Number:
102818-62-2
Molecular Formula:
C14H14N2O3
Molecular Weight:
258.2726
IUPAC Name:
2-(3-methyl-2-oxopiperidin-3-yl)isoindole-1,3-dione
InChI:
InChI=1S/C14H14N2O3/c1-14(7-4-8-15-13(14)19)16-11(17)9-5-2-3-6-10(9)12(16)18/h2-3,5-6H,4,7-8H2,1H3,(H,15,19)
InChI Key:
YLIQJGQTTPUWNO-UHFFFAOYSA-N
SMILES:
O=C1N(C(=O)c2c1cccc2)C1(C)CCCNC1=O
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.277g/mol
Monoisotopic Mass:
258.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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