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Home > Other Heterocycles > 64096-86-2
64096-86-2 | 3,3-dimethyl-2,4-dioxa-9lambda6-thiaspiro[5.5]undecane-1,5,9,9-tetrone
CAS No: 64096-86-2 Catalog No: AG00IO36 MDL No:MFCD03012087
Product Description
Catalog Number:
AG00IO36
Chemical Name:
3,3-dimethyl-2,4-dioxa-9lambda6-thiaspiro[5.5]undecane-1,5,9,9-tetrone
CAS Number:
64096-86-2
Molecular Formula:
C10H14O6S
Molecular Weight:
262.2796
MDL Number:
MFCD03012087
IUPAC Name:
3,3-dimethyl-9,9-dioxo-2,4-dioxa-9λ6-thiaspiro[5.5]undecane-1,5-dione
InChI:
InChI=1S/C10H14O6S/c1-9(2)15-7(11)10(8(12)16-9)3-5-17(13,14)6-4-10/h3-6H2,1-2H3
InChI Key:
NHXXFEVVLIQWOT-UHFFFAOYSA-N
SMILES:
O=C1OC(C)(C)OC(=O)C21CCS(=O)(=O)CC2
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.276g/mol
Monoisotopic Mass:
262.051g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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