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89097-30-3 | 1,2-Propanediol, 3-[(5,7-diiodo-2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]-
CAS No: 89097-30-3 Catalog No: AG003YKJ MDL No:
Product Description
Catalog Number:
AG003YKJ
Chemical Name:
1,2-Propanediol, 3-[(5,7-diiodo-2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]-
CAS Number:
89097-30-3
Molecular Formula:
C12H14I2O5
Molecular Weight:
492.0455
IUPAC Name:
3-[(5,7-diiodo-2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]propane-1,2-diol
InChI:
InChI=1S/C12H14I2O5/c1-12(2)18-10-8(14)3-7(13)9(11(10)19-12)17-5-6(16)4-15/h3,6,15-16H,4-5H2,1-2H3
InChI Key:
LBWKRMMXRISFPK-UHFFFAOYSA-N
SMILES:
OCC(COc1c(I)cc(c2c1OC(O2)(C)C)I)O
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
491.893g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
492.048g/mol
Monoisotopic Mass:
491.893g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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