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Home > Other Heterocycles > 2060042-83-1
2060042-83-1 | 2lambda6-thiaspiro[3.5]nonane-2,2,7-trione
CAS No: 2060042-83-1 Catalog No: AG01BWE0 MDL No:MFCD30477021
Product Description
Catalog Number:
AG01BWE0
Chemical Name:
2lambda6-thiaspiro[3.5]nonane-2,2,7-trione
CAS Number:
2060042-83-1
Molecular Formula:
C8H12O3S
Molecular Weight:
188.2441
MDL Number:
MFCD30477021
IUPAC Name:
2,2-dioxo-2λ6-thiaspiro[3.5]nonan-7-one
InChI:
InChI=1S/C8H12O3S/c9-7-1-3-8(4-2-7)5-12(10,11)6-8/h1-6H2
InChI Key:
LQHFFXZKATZJRY-UHFFFAOYSA-N
SMILES:
O=C1CCC2(CC1)CS(=O)(=O)C2
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.241g/mol
Monoisotopic Mass:
188.051g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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