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Home > Other Heterocycles > 19677-50-0
19677-50-0 | 8lambda6-thiabicyclo[3.2.1]octane-3,8,8-trione
CAS No: 19677-50-0 Catalog No: AG01C5SO MDL No:MFCD24699442
Product Description
Catalog Number:
AG01C5SO
Chemical Name:
8lambda6-thiabicyclo[3.2.1]octane-3,8,8-trione
CAS Number:
19677-50-0
Molecular Formula:
C7H10O3S
Molecular Weight:
174.2175
MDL Number:
MFCD24699442
IUPAC Name:
8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-one
InChI:
InChI=1S/C7H10O3S/c8-5-3-6-1-2-7(4-5)11(6,9)10/h6-7H,1-4H2
InChI Key:
FDQGOPRXAOUROX-UHFFFAOYSA-N
SMILES:
O=C1CC2CCC(C1)S2(=O)=O
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.035g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.214g/mol
Monoisotopic Mass:
174.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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