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Home > Pyridines > 158868-14-5
158868-14-5 | 4-Pyridinol, hydrate (1:1)
CAS No: 158868-14-5 Catalog No: AG001QZ2 MDL No:
Product Description
Catalog Number:
AG001QZ2
Chemical Name:
4-Pyridinol, hydrate (1:1)
CAS Number:
158868-14-5
Molecular Formula:
C5H7NO2
Molecular Weight:
113.1146
IUPAC Name:
1H-pyridin-4-one;hydrate
InChI:
InChI=1S/C5H5NO.H2O/c7-5-1-3-6-4-2-5;/h1-4H,(H,6,7);1H2
InChI Key:
ASQDNEVKDRVHHS-UHFFFAOYSA-N
SMILES:
Oc1ccncc1.O
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.048g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
113.116g/mol
Monoisotopic Mass:
113.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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