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Home > Other Heterocycles > 2059956-09-9
2059956-09-9 | 3-oxaspiro[bicyclo[5.1.0]octane-4,4'-[1lambda6]thiane]-1',1'-dione
CAS No: 2059956-09-9 Catalog No: AG01BZP0 MDL No:MFCD30488800
Product Description
Catalog Number:
AG01BZP0
Chemical Name:
3-oxaspiro[bicyclo[5.1.0]octane-4,4'-[1lambda6]thiane]-1',1'-dione
CAS Number:
2059956-09-9
Molecular Formula:
C11H18O3S
Molecular Weight:
230.3238
MDL Number:
MFCD30488800
IUPAC Name:
spiro[3-oxabicyclo[5.1.0]octane-4,4'-thiane] 1',1'-dioxide
InChI:
InChI=1S/C11H18O3S/c12-15(13)5-3-11(4-6-15)2-1-9-7-10(9)8-14-11/h9-10H,1-8H2
InChI Key:
SNHMAGOGJLULSX-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCC2(CC1)CCC1C(CO2)C1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.098g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.322g/mol
Monoisotopic Mass:
230.098g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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