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89084-80-0 | 1,3-Benzodioxol-4-ol, 5,7-diiodo-2,2-dimethyl-
CAS No: 89084-80-0 Catalog No: AG008796 MDL No:
Product Description
Catalog Number:
AG008796
Chemical Name:
1,3-Benzodioxol-4-ol, 5,7-diiodo-2,2-dimethyl-
CAS Number:
89084-80-0
Molecular Formula:
C9H8I2O3
Molecular Weight:
417.9670
IUPAC Name:
5,7-diiodo-2,2-dimethyl-1,3-benzodioxol-4-ol
InChI:
InChI=1S/C9H8I2O3/c1-9(2)13-7-5(11)3-4(10)6(12)8(7)14-9/h3,12H,1-2H3
InChI Key:
IGHLUIRZWBIBNV-UHFFFAOYSA-N
SMILES:
Ic1cc(I)c(c2c1OC(O2)(C)C)O
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.856g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
417.969g/mol
Monoisotopic Mass:
417.856g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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