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29681-39-8 | 2-Pyridinecarboxylic acid, 5-methoxy-, methyl ester
CAS No: 29681-39-8 Catalog No: AG002Z3K MDL No:MFCD11975090
Product Description
Catalog Number:
AG002Z3K
Chemical Name:
2-Pyridinecarboxylic acid, 5-methoxy-, methyl ester
CAS Number:
29681-39-8
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD11975090
IUPAC Name:
methyl 5-methoxypyridine-2-carboxylate
InChI:
InChI=1S/C8H9NO3/c1-11-6-3-4-7(9-5-6)8(10)12-2/h3-5H,1-2H3
InChI Key:
NPTCNXIVWLMWQG-UHFFFAOYSA-N
SMILES:
COc1ccc(nc1)C(=O)OC
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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