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1138011-19-4 | 3-Pyridinecarboxylic acid, 4-amino-, hydrochloride (1:2)
CAS No: 1138011-19-4 Catalog No: AG0009PS MDL No:MFCD09951969
Product Description
Catalog Number:
AG0009PS
Chemical Name:
3-Pyridinecarboxylic acid, 4-amino-, hydrochloride (1:2)
CAS Number:
1138011-19-4
Molecular Formula:
C6H8Cl2N2O2
Molecular Weight:
211.0459
MDL Number:
MFCD09951969
IUPAC Name:
4-aminopyridine-3-carboxylic acid;dihydrochloride
InChI:
InChI=1S/C6H6N2O2.2ClH/c7-5-1-2-8-3-4(5)6(9)10;;/h1-3H,(H2,7,8)(H,9,10);2*1H
InChI Key:
ZCKYJHVCJAUVAE-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnccc1N.Cl.Cl
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.996g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
211.042g/mol
Monoisotopic Mass:
209.996g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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