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Home > Other Heterocycles > 87450-47-3
87450-47-3 | Spiro[bicyclo[2.2.1]heptane-2,2'-[1,3]dithiolan]-3-one
CAS No: 87450-47-3 Catalog No: AG004HHM MDL No:
Product Description
Catalog Number:
AG004HHM
Chemical Name:
Spiro[bicyclo[2.2.1]heptane-2,2'-[1,3]dithiolan]-3-one
CAS Number:
87450-47-3
Molecular Formula:
C9H12OS2
Molecular Weight:
200.3210
IUPAC Name:
spiro[1,3-dithiolane-2,3'-bicyclo[2.2.1]heptane]-2'-one
InChI:
InChI=1S/C9H12OS2/c10-8-6-1-2-7(5-6)9(8)11-3-4-12-9/h6-7H,1-5H2
InChI Key:
KBDBRNIOWXZLDF-UHFFFAOYSA-N
SMILES:
O=C1C2CCC(C31SCCS3)C2
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.033g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.314g/mol
Monoisotopic Mass:
200.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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