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102266-59-1 | 3-Pyridinecarbonitrile, 4-amino-2-ethoxy-1,6-dihydro-6-oxo-
CAS No: 102266-59-1 Catalog No: AG000724 MDL No:
Product Description
Catalog Number:
AG000724
Chemical Name:
3-Pyridinecarbonitrile, 4-amino-2-ethoxy-1,6-dihydro-6-oxo-
CAS Number:
102266-59-1
Molecular Formula:
C8H9N3O2
Molecular Weight:
179.1760
IUPAC Name:
4-amino-2-ethoxy-6-oxo-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C8H9N3O2/c1-2-13-8-5(4-9)6(10)3-7(12)11-8/h3H,2H2,1H3,(H3,10,11,12)
InChI Key:
OGEBABGCFCDYRS-UHFFFAOYSA-N
SMILES:
CCOc1c(C#N)c(N)cc(=O)[nH]1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.179g/mol
Monoisotopic Mass:
179.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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