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1159511-17-7 | 4-Pyridinecarboxylic acid, 3-(cyanomethyl)-2-methoxy-, methyl ester
CAS No: 1159511-17-7 Catalog No: AG000H5D MDL No:
Product Description
Catalog Number:
AG000H5D
Chemical Name:
4-Pyridinecarboxylic acid, 3-(cyanomethyl)-2-methoxy-, methyl ester
CAS Number:
1159511-17-7
Molecular Formula:
C10H10N2O3
Molecular Weight:
206.1980
IUPAC Name:
methyl 3-(cyanomethyl)-2-methoxypyridine-4-carboxylate
InChI:
InChI=1S/C10H10N2O3/c1-14-9-7(3-5-11)8(4-6-12-9)10(13)15-2/h4,6H,3H2,1-2H3
InChI Key:
YZYRLZZIWWYORV-UHFFFAOYSA-N
SMILES:
N#CCc1c(OC)nccc1C(=O)OC
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.201g/mol
Monoisotopic Mass:
206.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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