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89241-94-1 | 2-Pyridinecarboxylic acid, 3-amino-4-cyano-, ethyl ester
CAS No: 89241-94-1 Catalog No: AG004497 MDL No:MFCD18259090
Product Description
Catalog Number:
AG004497
Chemical Name:
2-Pyridinecarboxylic acid, 3-amino-4-cyano-, ethyl ester
CAS Number:
89241-94-1
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
MDL Number:
MFCD18259090
IUPAC Name:
ethyl 3-amino-4-cyanopyridine-2-carboxylate
InChI:
InChI=1S/C9H9N3O2/c1-2-14-9(13)8-7(11)6(5-10)3-4-12-8/h3-4H,2,11H2,1H3
InChI Key:
BBWGALGTLJAQJF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nccc(c1N)C#N
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.19g/mol
Monoisotopic Mass:
191.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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