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145033-25-6 | 2H-Pyrido[1,2-a]pyrazine-7-carboxylic acid, octahydro-1-oxo-, methyl ester, (7R,9aS)-rel-
CAS No: 145033-25-6 Catalog No: AG001KI3 MDL No:
Product Description
Catalog Number:
AG001KI3
Chemical Name:
2H-Pyrido[1,2-a]pyrazine-7-carboxylic acid, octahydro-1-oxo-, methyl ester, (7R,9aS)-rel-
CAS Number:
145033-25-6
Molecular Formula:
C10H16N2O3
Molecular Weight:
212.2456
IUPAC Name:
methyl (7R,9aS)-1-oxo-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-7-carboxylate
InChI:
InChI=1S/C10H16N2O3/c1-15-10(14)7-2-3-8-9(13)11-4-5-12(8)6-7/h7-8H,2-6H2,1H3,(H,11,13)/t7-,8+/m1/s1
InChI Key:
BRPXEPFCSRKAGN-SFYZADRCSA-N
SMILES:
COC(=O)[C@@H]1CC[C@@H]2N(C1)CCNC2=O
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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