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23328-64-5 | 3-Pyridinecarbonitrile, 4-ethyl-1,2-dihydro-6-hydroxy-2-oxo-
CAS No: 23328-64-5 Catalog No: AG002MVV MDL No:
Product Description
Catalog Number:
AG002MVV
Chemical Name:
3-Pyridinecarbonitrile, 4-ethyl-1,2-dihydro-6-hydroxy-2-oxo-
CAS Number:
23328-64-5
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
IUPAC Name:
4-ethyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C8H8N2O2/c1-2-5-3-7(11)10-8(12)6(5)4-9/h3H,2H2,1H3,(H2,10,11,12)
InChI Key:
WQMPZIYHTPLJJD-UHFFFAOYSA-N
SMILES:
CCc1cc(O)[nH]c(=O)c1C#N
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.164g/mol
Monoisotopic Mass:
164.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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