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1824387-41-8 | 3-Pyridinecarboxylic acid, 1,2-dihydro-1,5-dimethyl-2-oxo-, methyl ester
CAS No: 1824387-41-8 Catalog No: AG0023W4 MDL No:
Product Description
Catalog Number:
AG0023W4
Chemical Name:
3-Pyridinecarboxylic acid, 1,2-dihydro-1,5-dimethyl-2-oxo-, methyl ester
CAS Number:
1824387-41-8
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
IUPAC Name:
methyl 1,5-dimethyl-2-oxopyridine-3-carboxylate
InChI:
InChI=1S/C9H11NO3/c1-6-4-7(9(12)13-3)8(11)10(2)5-6/h4-5H,1-3H3
InChI Key:
HJFBUUJBCZPXBQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C)cn(c1=O)C
Properties
Complexity:
315
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:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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