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88525-63-7 | 2-Propanone, 1,1,1-triiodo-
CAS No: 88525-63-7 Catalog No: AG00481I MDL No:
Product Description
Catalog Number:
AG00481I
Chemical Name:
2-Propanone, 1,1,1-triiodo-
CAS Number:
88525-63-7
Molecular Formula:
C3H3I3O
Molecular Weight:
435.7687
IUPAC Name:
1,1,1-triiodopropan-2-one
InChI:
InChI=1S/C3H3I3O/c1-2(7)3(4,5)6/h1H3
InChI Key:
KVJMLKMIFOCURT-UHFFFAOYSA-N
SMILES:
CC(=O)C(I)(I)I
Properties
Complexity:
82.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
435.732g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
435.769g/mol
Monoisotopic Mass:
435.732g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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