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Home > Other Heterocycles > 28640-49-5
28640-49-5 | Spiro[bicyclo[4.2.1]nonane-9,2'-[1,3]dithiolane] (8CI,9CI)
CAS No: 28640-49-5 Catalog No: AG002VY1 MDL No:
Product Description
Catalog Number:
AG002VY1
Chemical Name:
Spiro[bicyclo[4.2.1]nonane-9,2'-[1,3]dithiolane] (8CI,9CI)
CAS Number:
28640-49-5
Molecular Formula:
C11H18S2
Molecular Weight:
214.3906
IUPAC Name:
spiro[1,3-dithiolane-2,9'-bicyclo[4.2.1]nonane]
InChI:
InChI=1S/C11H18S2/c1-2-4-10-6-5-9(3-1)11(10)12-7-8-13-11/h9-10H,1-8H2
InChI Key:
UNZNETIGNDOWIR-UHFFFAOYSA-N
SMILES:
C1CCC2C3(C(C1)CC2)SCCS3
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.085g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.385g/mol
Monoisotopic Mass:
214.085g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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