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Home > Indoles and Oxindole > 830348-33-9
830348-33-9 | 1H-Isoindole-1,3(2H)-dione, 2-[2-(5-methyl-2-pyridinyl)ethyl]-
CAS No: 830348-33-9 Catalog No: AG004X5D MDL No:
Product Description
Catalog Number:
AG004X5D
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[2-(5-methyl-2-pyridinyl)ethyl]-
CAS Number:
830348-33-9
Molecular Formula:
C16H14N2O2
Molecular Weight:
266.2946
IUPAC Name:
2-[2-(5-methylpyridin-2-yl)ethyl]isoindole-1,3-dione
InChI:
InChI=1S/C16H14N2O2/c1-11-6-7-12(17-10-11)8-9-18-15(19)13-4-2-3-5-14(13)16(18)20/h2-7,10H,8-9H2,1H3
InChI Key:
POPLUTNDVCNDRD-UHFFFAOYSA-N
SMILES:
Cc1ccc(nc1)CCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.3g/mol
Monoisotopic Mass:
266.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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