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116016-09-2 | 2-Hexanone, 3-iodo-
CAS No: 116016-09-2 Catalog No: AG000BDV MDL No:
Product Description
Catalog Number:
AG000BDV
Chemical Name:
2-Hexanone, 3-iodo-
CAS Number:
116016-09-2
Molecular Formula:
C6H11IO
Molecular Weight:
226.0554
IUPAC Name:
3-iodohexan-2-one
InChI:
InChI=1S/C6H11IO/c1-3-4-6(7)5(2)8/h6H,3-4H2,1-2H3
InChI Key:
KXXZJZVLUDIVAW-UHFFFAOYSA-N
SMILES:
CCCC(C(=O)C)I
Properties
Complexity:
80.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.985g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.057g/mol
Monoisotopic Mass:
225.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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