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Home > Pyridines > 115062-74-3
115062-74-3 | 5H-Pyrrolo[3,4-b]pyridine-5,7(6H)-dione, 6-(2,6-dimethylphenyl)-
CAS No: 115062-74-3 Catalog No: AG000FUH MDL No:
Product Description
Catalog Number:
AG000FUH
Chemical Name:
5H-Pyrrolo[3,4-b]pyridine-5,7(6H)-dione, 6-(2,6-dimethylphenyl)-
CAS Number:
115062-74-3
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
IUPAC Name:
6-(2,6-dimethylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
InChI:
InChI=1S/C15H12N2O2/c1-9-5-3-6-10(2)13(9)17-14(18)11-7-4-8-16-12(11)15(17)19/h3-8H,1-2H3
InChI Key:
AGCHZNFJAOKAMC-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1N1C(=O)c2c(C1=O)nccc2)C
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.273g/mol
Monoisotopic Mass:
252.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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