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1260861-99-1 | 2-Pyridinecarboxylic acid, 6-amino-5-hydroxy-, methyl ester
CAS No: 1260861-99-1 Catalog No: AG000RGS MDL No:
Product Description
Catalog Number:
AG000RGS
Chemical Name:
2-Pyridinecarboxylic acid, 6-amino-5-hydroxy-, methyl ester
CAS Number:
1260861-99-1
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
IUPAC Name:
methyl 6-amino-5-hydroxypyridine-2-carboxylate
InChI:
InChI=1S/C7H8N2O3/c1-12-7(11)4-2-3-5(10)6(8)9-4/h2-3,10H,1H3,(H2,8,9)
InChI Key:
IRLQTWZTXCLRAK-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(n1)N)O
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.152g/mol
Monoisotopic Mass:
168.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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