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110168-70-2 | 4H-1,3-Dioxin-4-one, 5-iodo-2,2-dimethyl-
CAS No: 110168-70-2 Catalog No: AG007DV0 MDL No:
Product Description
Catalog Number:
AG007DV0
Chemical Name:
4H-1,3-Dioxin-4-one, 5-iodo-2,2-dimethyl-
CAS Number:
110168-70-2
Molecular Formula:
C6H7IO3
Molecular Weight:
254.0224
IUPAC Name:
5-iodo-2,2-dimethyl-1,3-dioxin-4-one
InChI:
InChI=1S/C6H7IO3/c1-6(2)9-3-4(7)5(8)10-6/h3H,1-2H3
InChI Key:
VHCPIYZCINPHFR-UHFFFAOYSA-N
SMILES:
O=C1OC(C)(C)OC=C1I
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.944g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.023g/mol
Monoisotopic Mass:
253.944g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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