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Home > Pyridines > 1010898-45-9
1010898-45-9 | 3-Pyridinecarbonitrile, 1,2-dihydro-1-(2-methoxyethyl)-4,6-dimethyl-2-oxo-
CAS No: 1010898-45-9 Catalog No: AG0003PT MDL No:MFCD12200747
Product Description
Catalog Number:
AG0003PT
Chemical Name:
3-Pyridinecarbonitrile, 1,2-dihydro-1-(2-methoxyethyl)-4,6-dimethyl-2-oxo-
CAS Number:
1010898-45-9
Molecular Formula:
C11H14N2O2
Molecular Weight:
206.2411
MDL Number:
MFCD12200747
IUPAC Name:
1-(2-methoxyethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
InChI:
InChI=1S/C11H14N2O2/c1-8-6-9(2)13(4-5-15-3)11(14)10(8)7-12/h6H,4-5H2,1-3H3
InChI Key:
YYZNFQFKQSIYTO-UHFFFAOYSA-N
SMILES:
COCCn1c(C)cc(c(c1=O)C#N)C
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.245g/mol
Monoisotopic Mass:
206.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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