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123852-72-2 | 2-Pyridinecarboxylic acid, 5-cyano-6-ethoxy-
CAS No: 123852-72-2 Catalog No: AG000L6N MDL No:
Product Description
Catalog Number:
AG000L6N
Chemical Name:
2-Pyridinecarboxylic acid, 5-cyano-6-ethoxy-
CAS Number:
123852-72-2
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
IUPAC Name:
5-cyano-6-ethoxypyridine-2-carboxylic acid
InChI:
InChI=1S/C9H8N2O3/c1-2-14-8-6(5-10)3-4-7(11-8)9(12)13/h3-4H,2H2,1H3,(H,12,13)
InChI Key:
FBKRIVQNAKSKBL-UHFFFAOYSA-N
SMILES:
CCOc1nc(ccc1C#N)C(=O)O
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.174g/mol
Monoisotopic Mass:
192.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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