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1823869-10-8 | 3-Pyridinecarboxylic acid, 1,2-dihydro-1,5-dimethyl-2-oxo-, ethyl ester
CAS No: 1823869-10-8 Catalog No: AG0023R3 MDL No:
Product Description
Catalog Number:
AG0023R3
Chemical Name:
3-Pyridinecarboxylic acid, 1,2-dihydro-1,5-dimethyl-2-oxo-, ethyl ester
CAS Number:
1823869-10-8
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
IUPAC Name:
ethyl 1,5-dimethyl-2-oxopyridine-3-carboxylate
InChI:
InChI=1S/C10H13NO3/c1-4-14-10(13)8-5-7(2)6-11(3)9(8)12/h5-6H,4H2,1-3H3
InChI Key:
NXNDSINIJZVTCV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(C)cn(c1=O)C
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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