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80841-79-8 | 1,3-Dioxol-2-one, 4-(iodomethyl)-5-methyl-
CAS No: 80841-79-8 Catalog No: AG005IOQ MDL No:
Product Description
Catalog Number:
AG005IOQ
Chemical Name:
1,3-Dioxol-2-one, 4-(iodomethyl)-5-methyl-
CAS Number:
80841-79-8
Molecular Formula:
C5H5IO3
Molecular Weight:
239.9959
IUPAC Name:
4-(iodomethyl)-5-methyl-1,3-dioxol-2-one
InChI:
InChI=1S/C5H5IO3/c1-3-4(2-6)9-5(7)8-3/h2H2,1H3
InChI Key:
SMTDIEBUWFHPON-UHFFFAOYSA-N
SMILES:
ICc1oc(=O)oc1C
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.928g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.996g/mol
Monoisotopic Mass:
239.928g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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