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67831-29-2 | 2-iodo-6-methylsulfonyloxy-4,8-dioxabicyclo[3.3.0]octane
CAS No: 67831-29-2 Catalog No: AG006IUO MDL No:
Product Description
Catalog Number:
AG006IUO
Chemical Name:
2-iodo-6-methylsulfonyloxy-4,8-dioxabicyclo[3.3.0]octane
CAS Number:
67831-29-2
Molecular Formula:
C7H11IO5S
Molecular Weight:
334.1287
IUPAC Name:
(6-iodo-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) methanesulfonate
InChI:
InChI=1S/C7H11IO5S/c1-14(9,10)13-5-3-12-6-4(8)2-11-7(5)6/h4-7H,2-3H2,1H3
InChI Key:
UTYFOFZRAKHNAP-UHFFFAOYSA-N
SMILES:
IC1COC2C1OCC2OS(=O)(=O)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.937g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.124g/mol
Monoisotopic Mass:
333.937g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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