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88525-62-6 | 2-Propanone, 1,1-diiodo-
CAS No: 88525-62-6 Catalog No: AG004754 MDL No:
Product Description
Catalog Number:
AG004754
Chemical Name:
2-Propanone, 1,1-diiodo-
CAS Number:
88525-62-6
Molecular Formula:
C3H4I2O
Molecular Weight:
309.8722
IUPAC Name:
1,1-diiodopropan-2-one
InChI:
InChI=1S/C3H4I2O/c1-2(6)3(4)5/h3H,1H3
InChI Key:
RXSYIGPURZVKKR-UHFFFAOYSA-N
SMILES:
IC(C(=O)C)I
Properties
Complexity:
59.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.835g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.873g/mol
Monoisotopic Mass:
309.835g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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