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1333319-62-2 | 1(2H)-Pyridinecarboxylic acid, 4-amino-5,6-dihydro-2-oxo-, 1,1-dimethylethyl ester
CAS No: 1333319-62-2 Catalog No: AG0014OC MDL No:
Product Description
Catalog Number:
AG0014OC
Chemical Name:
1(2H)-Pyridinecarboxylic acid, 4-amino-5,6-dihydro-2-oxo-, 1,1-dimethylethyl ester
CAS Number:
1333319-62-2
Molecular Formula:
C10H16N2O3
Molecular Weight:
212.2456
IUPAC Name:
tert-butyl 4-amino-6-oxo-2,3-dihydropyridine-1-carboxylate
InChI:
InChI=1S/C10H16N2O3/c1-10(2,3)15-9(14)12-5-4-7(11)6-8(12)13/h6H,4-5,11H2,1-3H3
InChI Key:
RNSZCMUVIYHTIU-UHFFFAOYSA-N
SMILES:
NC1=CC(=O)N(CC1)C(=O)OC(C)(C)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:
212.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.249g/mol
Monoisotopic Mass:
212.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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