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Home > Pyridines > 138169-46-7
138169-46-7 | 2(5H)-PYRIDINONE
CAS No: 138169-46-7 Catalog No: AG001842 MDL No:
Product Description
Catalog Number:
AG001842
Chemical Name:
2(5H)-PYRIDINONE
CAS Number:
138169-46-7
Molecular Formula:
C5H5NO
Molecular Weight:
95.0993
IUPAC Name:
3H-pyridin-6-one
InChI:
InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1,3-4H,2H2
InChI Key:
CSMMEAYSMCAJPJ-UHFFFAOYSA-N
SMILES:
O=C1C=CCC=N1
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
95.037g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
95.101g/mol
Monoisotopic Mass:
95.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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