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145100-54-5 | 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-4-oxo-2-propyl-, phenylmethyl ester
CAS No: 145100-54-5 Catalog No: AG001KJY MDL No:
Product Description
Catalog Number:
AG001KJY
Chemical Name:
1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-4-oxo-2-propyl-, phenylmethyl ester
CAS Number:
145100-54-5
Molecular Formula:
C16H19NO3
Molecular Weight:
273.3270
IUPAC Name:
benzyl 4-oxo-2-propyl-2,3-dihydropyridine-1-carboxylate
InChI:
InChI=1S/C16H19NO3/c1-2-6-14-11-15(18)9-10-17(14)16(19)20-12-13-7-4-3-5-8-13/h3-5,7-10,14H,2,6,11-12H2,1H3
InChI Key:
SYWFGYZHYRYOKS-UHFFFAOYSA-N
SMILES:
CCCC1CC(=O)C=CN1C(=O)OCc1ccccc1
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.136g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.332g/mol
Monoisotopic Mass:
273.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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