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Home > Pyridines > 155818-89-6
155818-89-6 | 3H-Pyrrolo[2,3-b]pyridin-3-one, 1-acetyl-1,2-dihydro-
CAS No: 155818-89-6 Catalog No: AG001O8W MDL No:
Product Description
Catalog Number:
AG001O8W
Chemical Name:
3H-Pyrrolo[2,3-b]pyridin-3-one, 1-acetyl-1,2-dihydro-
CAS Number:
155818-89-6
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
IUPAC Name:
1-acetyl-2H-pyrrolo[2,3-b]pyridin-3-one
InChI:
InChI=1S/C9H8N2O2/c1-6(12)11-5-8(13)7-3-2-4-10-9(7)11/h2-4H,5H2,1H3
InChI Key:
NDXCSLGFVXYJFG-UHFFFAOYSA-N
SMILES:
CC(=O)N1CC(=O)c2c1nccc2
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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