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1260863-04-4 | 2H-Pyrido[1,2-a]pyrazine-2-carboxylic acid, octahydro-7-oxo-, 1,1-dimethylethyl ester
CAS No: 1260863-04-4 Catalog No: AG000RHU MDL No:
Product Description
Catalog Number:
AG000RHU
Chemical Name:
2H-Pyrido[1,2-a]pyrazine-2-carboxylic acid, octahydro-7-oxo-, 1,1-dimethylethyl ester
CAS Number:
1260863-04-4
Molecular Formula:
C13H22N2O3
Molecular Weight:
254.3254
IUPAC Name:
tert-butyl 7-oxo-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine-2-carboxylate
InChI:
InChI=1S/C13H22N2O3/c1-13(2,3)18-12(17)15-7-6-14-9-11(16)5-4-10(14)8-15/h10H,4-9H2,1-3H3
InChI Key:
SQGPUKOULRMPIU-UHFFFAOYSA-N
SMILES:
O=C1CCC2N(C1)CCN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.163g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.33g/mol
Monoisotopic Mass:
254.163g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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