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130484-87-6

130484-87-6 | 3-Pyridinecarboxylic acid, 2-amino-5-cyano-6-ethoxy-

CAS No: 130484-87-6 Catalog No: AG000UHL MDL No:

Product Description

Catalog Number:
AG000UHL
Chemical Name:
3-Pyridinecarboxylic acid, 2-amino-5-cyano-6-ethoxy-
CAS Number:
130484-87-6
Molecular Formula:
C9H9N3O3
Molecular Weight:
207.1861
IUPAC Name:
2-amino-5-cyano-6-ethoxypyridine-3-carboxylic acid
InChI:
InChI=1S/C9H9N3O3/c1-2-15-8-5(4-10)3-6(9(13)14)7(11)12-8/h3H,2H2,1H3,(H2,11,12)(H,13,14)
InChI Key:
LGCJMLDSYKAGOV-UHFFFAOYSA-N
SMILES:
CCOc1nc(N)c(cc1C#N)C(=O)O

Properties

Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.064g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
207.189g/mol
Monoisotopic Mass:
207.064g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

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