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128372-89-4 | 1(2H)-Pyridinecarboxylic acid, 5,6-dihydro-2-oxo-, 1,1-dimethylethyl ester
CAS No: 128372-89-4 Catalog No: AG000Y0N MDL No:
Product Description
Catalog Number:
AG000Y0N
Chemical Name:
1(2H)-Pyridinecarboxylic acid, 5,6-dihydro-2-oxo-, 1,1-dimethylethyl ester
CAS Number:
128372-89-4
Molecular Formula:
C10H15NO3
Molecular Weight:
197.2310
IUPAC Name:
tert-butyl 6-oxo-2,3-dihydropyridine-1-carboxylate
InChI:
InChI=1S/C10H15NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8(11)12/h4,6H,5,7H2,1-3H3
InChI Key:
VOVJZEJLJABSJY-UHFFFAOYSA-N
SMILES:
O=C(N1CCC=CC1=O)OC(C)(C)C
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.234g/mol
Monoisotopic Mass:
197.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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