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20845-22-1 | 2-Pyridinecarboxylic acid, 1,6-dihydro-1-methyl-6-oxo-, methyl ester
CAS No: 20845-22-1 Catalog No: AG002JPE MDL No:MFCD22581562
Product Description
Catalog Number:
AG002JPE
Chemical Name:
2-Pyridinecarboxylic acid, 1,6-dihydro-1-methyl-6-oxo-, methyl ester
CAS Number:
20845-22-1
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD22581562
IUPAC Name:
methyl 1-methyl-6-oxopyridine-2-carboxylate
InChI:
InChI=1S/C8H9NO3/c1-9-6(8(11)12-2)4-3-5-7(9)10/h3-5H,1-2H3
InChI Key:
INFQCCFXGFIXCI-UHFFFAOYSA-N
SMILES:
Cn1c(cccc1=O)C(=O)OC
Properties
Complexity:
278
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:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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