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89556-96-7 | 3H-Pyrrolizin-3-one, 7-(1,3-dithian-2-yl)hexahydro-, cis-
CAS No: 89556-96-7 Catalog No: AG003ZFY MDL No:
Product Description
Catalog Number:
AG003ZFY
Chemical Name:
3H-Pyrrolizin-3-one, 7-(1,3-dithian-2-yl)hexahydro-, cis-
CAS Number:
89556-96-7
Molecular Formula:
C11H17NOS2
Molecular Weight:
243.3888
IUPAC Name:
7-(1,3-dithian-2-yl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
InChI:
InChI=1S/C11H17NOS2/c13-10-3-2-9-8(4-5-12(9)10)11-14-6-1-7-15-11/h8-9,11H,1-7H2
InChI Key:
XIFQHONWHATYMA-UHFFFAOYSA-N
SMILES:
O=C1CC[C@@H]2N1CC[C@H]2C1SCCCS1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.075g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.383g/mol
Monoisotopic Mass:
243.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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