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132629-54-0 | 2H-Pyran-2-one, tetrahydro-4-hydroxy-6-(iodomethyl)-, (4R,6R)-
CAS No: 132629-54-0 Catalog No: AG0010XQ MDL No:
Product Description
Catalog Number:
AG0010XQ
Chemical Name:
2H-Pyran-2-one, tetrahydro-4-hydroxy-6-(iodomethyl)-, (4R,6R)-
CAS Number:
132629-54-0
Molecular Formula:
C6H9IO3
Molecular Weight:
256.0383
IUPAC Name:
4-hydroxy-6-(iodomethyl)oxan-2-one
InChI:
InChI=1S/C6H9IO3/c7-3-5-1-4(8)2-6(9)10-5/h4-5,8H,1-3H2
InChI Key:
OBKOPZXUKHZIHB-UHFFFAOYSA-N
SMILES:
O[C@@H]1C[C@H](CI)OC(=O)C1
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.96g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.039g/mol
Monoisotopic Mass:
255.96g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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