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Home > Other Heterocycles > 89398-05-0
89398-05-0 | 3-Thia-7-azabicyclo[3.3.1]nonan-9-one, 7-(phenylmethyl)-, perchlorate
CAS No: 89398-05-0 Catalog No: AG003WJN MDL No:
Product Description
Catalog Number:
AG003WJN
Chemical Name:
3-Thia-7-azabicyclo[3.3.1]nonan-9-one, 7-(phenylmethyl)-, perchlorate
CAS Number:
89398-05-0
Molecular Formula:
C14H18ClNO5S
Molecular Weight:
347.8144
IUPAC Name:
7-benzyl-3-thia-7-azabicyclo[3.3.1]nonan-9-one;perchloric acid
InChI:
InChI=1S/C14H17NOS.ClHO4/c16-14-12-7-15(8-13(14)10-17-9-12)6-11-4-2-1-3-5-11;2-1(3,4)5/h1-5,12-13H,6-10H2;(H,2,3,4,5)
InChI Key:
PYYPJNLQRZBIBS-UHFFFAOYSA-N
SMILES:
O[Cl](=O)(=O)=O.O=C1C2CSCC1CN(C2)Cc1ccccc1
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.059g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.81g/mol
Monoisotopic Mass:
347.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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