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248919-73-5 | 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-2-(1-methylethyl)-4-oxo-, phenylmethyl ester
CAS No: 248919-73-5 Catalog No: AG002PRG MDL No:
Product Description
Catalog Number:
AG002PRG
Chemical Name:
1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-2-(1-methylethyl)-4-oxo-, phenylmethyl ester
CAS Number:
248919-73-5
Molecular Formula:
C16H19NO3
Molecular Weight:
273.3270
IUPAC Name:
benzyl 4-oxo-2-propan-2-yl-2,3-dihydropyridine-1-carboxylate
InChI:
InChI=1S/C16H19NO3/c1-12(2)15-10-14(18)8-9-17(15)16(19)20-11-13-6-4-3-5-7-13/h3-9,12,15H,10-11H2,1-2H3
InChI Key:
BSLWZNQANNVSBF-UHFFFAOYSA-N
SMILES:
CC(C1CC(=O)C=CN1C(=O)OCc1ccccc1)C
Properties
Complexity:
383
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:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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