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139157-06-5 | 5H-Pyrrolo[3,4-b]pyridine-5,7(6H)-dione, 6-(4-acetylphenyl)-
CAS No: 139157-06-5 Catalog No: AG001AFF MDL No:MFCD03900214
Product Description
Catalog Number:
AG001AFF
Chemical Name:
5H-Pyrrolo[3,4-b]pyridine-5,7(6H)-dione, 6-(4-acetylphenyl)-
CAS Number:
139157-06-5
Molecular Formula:
C15H10N2O3
Molecular Weight:
266.2515
MDL Number:
MFCD03900214
IUPAC Name:
6-(4-acetylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
InChI:
InChI=1S/C15H10N2O3/c1-9(18)10-4-6-11(7-5-10)17-14(19)12-3-2-8-16-13(12)15(17)20/h2-8H,1H3
InChI Key:
KPELNMZBEXSMGS-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)nccc2
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.069g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.256g/mol
Monoisotopic Mass:
266.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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