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142-08-5 | Pyridinone
CAS No: 142-08-5 Catalog No: AG00HWA3 MDL No:MFCD00006268
Product Description
Catalog Number:
AG00HWA3
Chemical Name:
Pyridinone
CAS Number:
142-08-5
Molecular Formula:
C5H5NO
Molecular Weight:
95.0993
MDL Number:
MFCD00006268
IUPAC Name:
1H-pyridin-2-one
InChI:
InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
InChI Key:
UBQKCCHYAOITMY-UHFFFAOYSA-N
SMILES:
O=c1cccc[nH]1
UNII:
6770O3A2I5
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:
1
Isotope Atom Count:
0
Molecular Weight:
95.101g/mol
Monoisotopic Mass:
95.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
Literature
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