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Home > Other Heterocycles > 27581-54-0
27581-54-0 | Spiro[bicyclo[3.3.1]nonane-2,2'-[1,3]dithiolan]-6-one
CAS No: 27581-54-0 Catalog No: AG002U54 MDL No:
Product Description
Catalog Number:
AG002U54
Chemical Name:
Spiro[bicyclo[3.3.1]nonane-2,2'-[1,3]dithiolan]-6-one
CAS Number:
27581-54-0
Molecular Formula:
C11H16OS2
Molecular Weight:
228.3741
IUPAC Name:
spiro[1,3-dithiolane-2,6'-bicyclo[3.3.1]nonane]-2'-one
InChI:
InChI=1S/C11H16OS2/c12-10-2-1-9-7-8(10)3-4-11(9)13-5-6-14-11/h8-9H,1-7H2
InChI Key:
RLLOKHKMDARIKE-UHFFFAOYSA-N
SMILES:
O=C1CCC2CC1CCC12SCCS1
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.368g/mol
Monoisotopic Mass:
228.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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