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1268490-69-2 | 4-Pyridineacetic acid, 3-cyano-1,2-dihydro-6-methoxy-2-oxo-, methyl ester
CAS No: 1268490-69-2 Catalog No: AG000TBR MDL No:
Product Description
Catalog Number:
AG000TBR
Chemical Name:
4-Pyridineacetic acid, 3-cyano-1,2-dihydro-6-methoxy-2-oxo-, methyl ester
CAS Number:
1268490-69-2
Molecular Formula:
C10H10N2O4
Molecular Weight:
222.1974
IUPAC Name:
methyl 2-(3-cyano-6-methoxy-2-oxo-1H-pyridin-4-yl)acetate
InChI:
InChI=1S/C10H10N2O4/c1-15-8-3-6(4-9(13)16-2)7(5-11)10(14)12-8/h3H,4H2,1-2H3,(H,12,14)
InChI Key:
MBJNIVSCXHCIGJ-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1cc(OC)[nH]c(=O)c1C#N
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.2g/mol
Monoisotopic Mass:
222.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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