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130747-62-5 | 4-Pyridinecarboxylic acid, 5-cyano-1,2-dihydro-6-methoxy-2-oxo-, methyl ester
CAS No: 130747-62-5 Catalog No: AG000UWP MDL No:
Product Description
Catalog Number:
AG000UWP
Chemical Name:
4-Pyridinecarboxylic acid, 5-cyano-1,2-dihydro-6-methoxy-2-oxo-, methyl ester
CAS Number:
130747-62-5
Molecular Formula:
C9H8N2O4
Molecular Weight:
208.1708
IUPAC Name:
methyl 3-cyano-2-methoxy-6-oxo-1H-pyridine-4-carboxylate
InChI:
InChI=1S/C9H8N2O4/c1-14-8-6(4-10)5(9(13)15-2)3-7(12)11-8/h3H,1-2H3,(H,11,12)
InChI Key:
LXDOEMRSJGLHID-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(=O)[nH]c(c1C#N)OC
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.173g/mol
Monoisotopic Mass:
208.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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