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154977-43-2

154977-43-2 | 6,8-Dioxabicyclo[3.2.1]oct-2-en-4-one, 3-iodo-, (1S,5R)-

CAS No: 154977-43-2 Catalog No: AG001NIV MDL No:

Product Description

Catalog Number:
AG001NIV
Chemical Name:
6,8-Dioxabicyclo[3.2.1]oct-2-en-4-one, 3-iodo-, (1S,5R)-
CAS Number:
154977-43-2
Molecular Formula:
C6H5IO3
Molecular Weight:
252.0066
IUPAC Name:
(1S,5R)-3-iodo-6,8-dioxabicyclo[3.2.1]oct-2-en-4-one
InChI:
InChI=1S/C6H5IO3/c7-4-1-3-2-9-6(10-3)5(4)8/h1,3,6H,2H2/t3-,6+/m0/s1
InChI Key:
DUDHOHCAGVMNQU-BBIVZNJYSA-N
SMILES:
IC1=C[C@H]2CO[C@@H](C1=O)O2

Properties

Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
251.928g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.007g/mol
Monoisotopic Mass:
251.928g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

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