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Home > Pyridines > 859749-74-9
859749-74-9 | 4-hydroxy-1,2,3,6-tetrahydropyridine-2,6-dione
CAS No: 859749-74-9 Catalog No: AG01AKA2 MDL No:MFCD20727905
Product Description
Catalog Number:
AG01AKA2
Chemical Name:
4-hydroxy-1,2,3,6-tetrahydropyridine-2,6-dione
CAS Number:
859749-74-9
Molecular Formula:
C5H5NO3
Molecular Weight:
127.0981
MDL Number:
MFCD20727905
IUPAC Name:
4-hydroxy-3H-pyridine-2,6-dione
InChI:
InChI=1S/C5H5NO3/c7-3-1-4(8)6-5(9)2-3/h1,7H,2H2,(H,6,8,9)
InChI Key:
SPZAZMMMNDNGHD-UHFFFAOYSA-N
SMILES:
O=C1CC(=CC(=O)N1)O
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.027g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
127.099g/mol
Monoisotopic Mass:
127.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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