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Home > Pyridines > 1421314-07-9
1421314-07-9 | 3-Pyridinecarbonitrile, 1,2,5,6-tetrahydro-4-methoxy-1-methyl-2-oxo-
CAS No: 1421314-07-9 Catalog No: AG001HTW MDL No:MFCD26937557
Product Description
Catalog Number:
AG001HTW
Chemical Name:
3-Pyridinecarbonitrile, 1,2,5,6-tetrahydro-4-methoxy-1-methyl-2-oxo-
CAS Number:
1421314-07-9
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD26937557
IUPAC Name:
4-methoxy-1-methyl-6-oxo-2,3-dihydropyridine-5-carbonitrile
InChI:
InChI=1S/C8H10N2O2/c1-10-4-3-7(12-2)6(5-9)8(10)11/h3-4H2,1-2H3
InChI Key:
YQISINGDCYNORP-UHFFFAOYSA-N
SMILES:
N#CC1=C(OC)CCN(C1=O)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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