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847822-70-2 | 2H-Pyran-2-one, 5-iodo-
CAS No: 847822-70-2 Catalog No: AG004RHE MDL No:
Product Description
Catalog Number:
AG004RHE
Chemical Name:
2H-Pyran-2-one, 5-iodo-
CAS Number:
847822-70-2
Molecular Formula:
C5H3IO2
Molecular Weight:
221.9806
IUPAC Name:
5-iodopyran-2-one
InChI:
InChI=1S/C5H3IO2/c6-4-1-2-5(7)8-3-4/h1-3H
InChI Key:
CUECALDMBSMOOC-UHFFFAOYSA-N
SMILES:
Ic1ccc(=O)oc1
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.918g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.981g/mol
Monoisotopic Mass:
221.918g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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