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Home > Other Heterocycles > 6007-84-7
6007-84-7 | 3-oxa-8-thiabicyclo[3.2.1]octane-2,4-dione
CAS No: 6007-84-7 Catalog No: AG01BJFZ MDL No:MFCD29042229
Product Description
Catalog Number:
AG01BJFZ
Chemical Name:
3-oxa-8-thiabicyclo[3.2.1]octane-2,4-dione
CAS Number:
6007-84-7
Molecular Formula:
C6H6O3S
Molecular Weight:
158.1750
MDL Number:
MFCD29042229
IUPAC Name:
3-oxa-8-thiabicyclo[3.2.1]octane-2,4-dione
InChI:
InChI=1S/C6H6O3S/c7-5-3-1-2-4(10-3)6(8)9-5/h3-4H,1-2H2
InChI Key:
QJWZYQDLGSFKPS-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)C2SC1CC2
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.004g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.171g/mol
Monoisotopic Mass:
158.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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