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116985-92-3 | 4-Pyridinecarboxylic acid, 3-methyl-, methyl ester
CAS No: 116985-92-3 Catalog No: AG000DGJ MDL No:MFCD03426295
Product Description
Catalog Number:
AG000DGJ
Chemical Name:
4-Pyridinecarboxylic acid, 3-methyl-, methyl ester
CAS Number:
116985-92-3
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
MDL Number:
MFCD03426295
IUPAC Name:
methyl 3-methylpyridine-4-carboxylate
InChI:
InChI=1S/C8H9NO2/c1-6-5-9-4-3-7(6)8(10)11-2/h3-5H,1-2H3
InChI Key:
UWOZODSMOOALPG-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccncc1C
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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