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149539-81-1 | 3-Pyridinecarboxylic acid, 6-amino-2-methoxy-, methyl ester
CAS No: 149539-81-1 Catalog No: AG001LSO MDL No:
Product Description
Catalog Number:
AG001LSO
Chemical Name:
3-Pyridinecarboxylic acid, 6-amino-2-methoxy-, methyl ester
CAS Number:
149539-81-1
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
IUPAC Name:
methyl 6-amino-2-methoxypyridine-3-carboxylate
InChI:
InChI=1S/C8H10N2O3/c1-12-7-5(8(11)13-2)3-4-6(9)10-7/h3-4H,1-2H3,(H2,9,10)
InChI Key:
OATKRFSWBXGFJT-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(nc1OC)N
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.179g/mol
Monoisotopic Mass:
182.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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