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Home > Other Heterocycles > 15130-91-3
15130-91-3 | 8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(3-sulfopropyl)-, inner salt, (3-endo)-
CAS No: 15130-91-3 Catalog No: AG001N9C MDL No:
Product Description
Catalog Number:
AG001N9C
Chemical Name:
8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(3-sulfopropyl)-, inner salt, (3-endo)-
CAS Number:
15130-91-3
IUPAC Name:
3-[3-(3-hydroxy-2-phenylpropanoyl)oxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl]propane-1-sulfonate
InChI:
InChI=1S/C20H29NO6S/c1-21(10-5-11-28(24,25)26)16-8-9-17(21)13-18(12-16)27-20(23)19(14-22)15-6-3-2-4-7-15/h2-4,6-7,16-19,22H,5,8-14H2,1H3
InChI Key:
PIWAVOGXKRZQCB-UHFFFAOYSA-N
Properties
Complexity:
612
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.172g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
411.513g/mol
Monoisotopic Mass:
411.172g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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