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697798-87-1 | 2-tert-butyl 8a-methyl 6-oxo-1,2,3,4,6,7,8,8a-octahydroisoquinoline-2,8a-dicarboxylate
CAS No: 697798-87-1 Catalog No: AG01FL99 MDL No:
Product Description
Catalog Number:
AG01FL99
Chemical Name:
2-tert-butyl 8a-methyl 6-oxo-1,2,3,4,6,7,8,8a-octahydroisoquinoline-2,8a-dicarboxylate
CAS Number:
697798-87-1
IUPAC Name:
2-O-tert-butyl 8a-O-methyl 6-oxo-3,4,7,8-tetrahydro-1H-isoquinoline-2,8a-dicarboxylate
InChI:
InChI=1S/C16H23NO5/c1-15(2,3)22-14(20)17-8-6-11-9-12(18)5-7-16(11,10-17)13(19)21-4/h9H,5-8,10H2,1-4H3
InChI Key:
DEMROIUOHAMDAU-UHFFFAOYSA-N
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.158g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.362g/mol
Monoisotopic Mass:
309.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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