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16065-34-2 | 4H-Pyran-4-one, 5-hydroxy-2-(iodomethyl)-
CAS No: 16065-34-2 Catalog No: AG001S3V MDL No:
Product Description
Catalog Number:
AG001S3V
Chemical Name:
4H-Pyran-4-one, 5-hydroxy-2-(iodomethyl)-
CAS Number:
16065-34-2
Molecular Formula:
C6H5IO3
Molecular Weight:
252.0066
IUPAC Name:
5-hydroxy-2-(iodomethyl)pyran-4-one
InChI:
InChI=1S/C6H5IO3/c7-2-4-1-5(8)6(9)3-10-4/h1,3,9H,2H2
InChI Key:
AZUVDYQFPSARIG-UHFFFAOYSA-N
SMILES:
Oc1coc(cc1=O)CI
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Isotope Atom Count:
0
Molecular Weight:
252.007g/mol
Monoisotopic Mass:
251.928g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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