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88562-14-5 | 1,3-Cyclohexanedione, 2-(2,3,5-triiodobenzoyl)-
CAS No: 88562-14-5 Catalog No: AG004BZ1 MDL No:
Product Description
Catalog Number:
AG004BZ1
Chemical Name:
1,3-Cyclohexanedione, 2-(2,3,5-triiodobenzoyl)-
CAS Number:
88562-14-5
Molecular Formula:
C13H9I3O3
Molecular Weight:
593.9222
IUPAC Name:
2-(2,3,5-triiodobenzoyl)cyclohexane-1,3-dione
InChI:
InChI=1S/C13H9I3O3/c14-6-4-7(12(16)8(15)5-6)13(19)11-9(17)2-1-3-10(11)18/h4-5,11H,1-3H2
InChI Key:
SIXNEERFYGDIPE-UHFFFAOYSA-N
SMILES:
Ic1cc(I)c(c(c1)C(=O)C1C(=O)CCCC1=O)I
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
593.769g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
593.925g/mol
Monoisotopic Mass:
593.769g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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