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155059-55-5 | Butanoic acid, 2-(phenylthio)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, ethanedioate (1:1)
CAS No: 155059-55-5 Catalog No: AG001NLL MDL No:
Product Description
Catalog Number:
AG001NLL
Chemical Name:
Butanoic acid, 2-(phenylthio)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, ethanedioate (1:1)
CAS Number:
155059-55-5
IUPAC Name:
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenylsulfanylbutanoate;oxalic acid
InChI:
InChI=1S/C18H25NO2S.C2H2O4/c1-3-17(22-16-7-5-4-6-8-16)18(20)21-15-11-13-9-10-14(12-15)19(13)2;3-1(4)2(5)6/h4-8,13-15,17H,3,9-12H2,1-2H3;(H,3,4)(H,5,6)
InChI Key:
DBBVWGGNICLTMF-UHFFFAOYSA-N
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.156g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
409.497g/mol
Monoisotopic Mass:
409.156g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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