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1214346-49-2 | 2-Pyridinecarboxylic acid, 6-methoxy-, ethyl ester
CAS No: 1214346-49-2 Catalog No: AG0014VD MDL No:
Product Description
Catalog Number:
AG0014VD
Chemical Name:
2-Pyridinecarboxylic acid, 6-methoxy-, ethyl ester
CAS Number:
1214346-49-2
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
IUPAC Name:
ethyl 6-methoxypyridine-2-carboxylate
InChI:
InChI=1S/C9H11NO3/c1-3-13-9(11)7-5-4-6-8(10-7)12-2/h4-6H,3H2,1-2H3
InChI Key:
NOHWOJGZBUCDKL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc(n1)OC
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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