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Home > Pyridines > 1375637-50-5
1375637-50-5 | 3-Pyridinepropanenitrile, 2-methoxy-6-methyl-β-oxo-
CAS No: 1375637-50-5 Catalog No: AG0013K6 MDL No:
Product Description
Catalog Number:
AG0013K6
Chemical Name:
3-Pyridinepropanenitrile, 2-methoxy-6-methyl-β-oxo-
CAS Number:
1375637-50-5
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
IUPAC Name:
3-(2-methoxy-6-methylpyridin-3-yl)-3-oxopropanenitrile
InChI:
InChI=1S/C10H10N2O2/c1-7-3-4-8(9(13)5-6-11)10(12-7)14-2/h3-4H,5H2,1-2H3
InChI Key:
OYTOCPQDCCQMPI-UHFFFAOYSA-N
SMILES:
COc1nc(C)ccc1C(=O)CC#N
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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