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1246650-98-5 | 2H-Pyrido[4,3-b]-1,4-oxazine-6(5H)-carboxylic acid, hexahydro-, 1,1-dimethylethyl ester, (4aR,8aS)-rel-
CAS No: 1246650-98-5 Catalog No: AG000MKN MDL No:
Product Description
Catalog Number:
AG000MKN
Chemical Name:
2H-Pyrido[4,3-b]-1,4-oxazine-6(5H)-carboxylic acid, hexahydro-, 1,1-dimethylethyl ester, (4aR,8aS)-rel-
CAS Number:
1246650-98-5
Molecular Formula:
C12H22N2O3
Molecular Weight:
242.3147
IUPAC Name:
tert-butyl (4aS,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine-6-carboxylate
InChI:
InChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14-6-4-10-9(8-14)13-5-7-16-10/h9-10,13H,4-8H2,1-3H3/t9-,10+/m0/s1
InChI Key:
FHFUKPWBTBBQNW-VHSXEESVSA-N
SMILES:
O=C(N1CC[C@H]2[C@@H](C1)NCCO2)OC(C)(C)C
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
242.163g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.319g/mol
Monoisotopic Mass:
242.163g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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