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129352-62-1 | 2H-Pyran-2-one, tetrahydro-4-(iodomethyl)-
CAS No: 129352-62-1 Catalog No: AG000Z2V MDL No:
Product Description
Catalog Number:
AG000Z2V
Chemical Name:
2H-Pyran-2-one, tetrahydro-4-(iodomethyl)-
CAS Number:
129352-62-1
Molecular Formula:
C6H9IO2
Molecular Weight:
240.0389
IUPAC Name:
4-(iodomethyl)oxan-2-one
InChI:
InChI=1S/C6H9IO2/c7-4-5-1-2-9-6(8)3-5/h5H,1-4H2
InChI Key:
CNMFJHXOSFLPLM-UHFFFAOYSA-N
SMILES:
ICC1CCOC(=O)C1
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.965g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.04g/mol
Monoisotopic Mass:
239.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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