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128455-38-9 | 2H-Pyran-2-one, 5,6-dihydro-3-iodo-
CAS No: 128455-38-9 Catalog No: AG000Y3T MDL No:
Product Description
Catalog Number:
AG000Y3T
Chemical Name:
2H-Pyran-2-one, 5,6-dihydro-3-iodo-
CAS Number:
128455-38-9
Molecular Formula:
C5H5IO2
Molecular Weight:
223.9965
IUPAC Name:
5-iodo-2,3-dihydropyran-6-one
InChI:
InChI=1S/C5H5IO2/c6-4-2-1-3-8-5(4)7/h2H,1,3H2
InChI Key:
NEOMRXCSKFQKTK-UHFFFAOYSA-N
SMILES:
O=C1OCCC=C1I
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.933g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.997g/mol
Monoisotopic Mass:
223.933g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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