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74357-21-4 | 3-Pyridinecarboxylic acid, 2-ethoxy-, methyl ester
CAS No: 74357-21-4 Catalog No: AG005Y1N MDL No:
Product Description
Catalog Number:
AG005Y1N
Chemical Name:
3-Pyridinecarboxylic acid, 2-ethoxy-, methyl ester
CAS Number:
74357-21-4
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
IUPAC Name:
methyl 2-ethoxypyridine-3-carboxylate
InChI:
InChI=1S/C9H11NO3/c1-3-13-8-7(9(11)12-2)5-4-6-10-8/h4-6H,3H2,1-2H3
InChI Key:
HWSBMFIVJJBYGN-UHFFFAOYSA-N
SMILES:
CCOc1ncccc1C(=O)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:
1.4
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