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Home > Pyridines > 102267-84-5
102267-84-5 | 5H-Pyrrolo[3,4-b]pyridine-5,7(6H)-dione, 3-ethyl-6-phenyl-
CAS No: 102267-84-5 Catalog No: AG000722 MDL No:
Product Description
Catalog Number:
AG000722
Chemical Name:
5H-Pyrrolo[3,4-b]pyridine-5,7(6H)-dione, 3-ethyl-6-phenyl-
CAS Number:
102267-84-5
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
IUPAC Name:
3-ethyl-6-phenylpyrrolo[3,4-b]pyridine-5,7-dione
InChI:
InChI=1S/C15H12N2O2/c1-2-10-8-12-13(16-9-10)15(19)17(14(12)18)11-6-4-3-5-7-11/h3-9H,2H2,1H3
InChI Key:
YBTCZFMZUPYLQR-UHFFFAOYSA-N
SMILES:
CCc1cnc2c(c1)C(=O)N(C2=O)c1ccccc1
Properties
Complexity:
376
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:
2
Topological Polar Surface Area:
50.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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