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116016-05-8 | Cyclohexanone, 2-iodo-3-methyl-
CAS No: 116016-05-8 Catalog No: AG000BDW MDL No:
Product Description
Catalog Number:
AG000BDW
Chemical Name:
Cyclohexanone, 2-iodo-3-methyl-
CAS Number:
116016-05-8
Molecular Formula:
C7H11IO
Molecular Weight:
238.0661
IUPAC Name:
2-iodo-3-methylcyclohexan-1-one
InChI:
InChI=1S/C7H11IO/c1-5-3-2-4-6(9)7(5)8/h5,7H,2-4H2,1H3
InChI Key:
ZPJPOAJRDZOLBH-UHFFFAOYSA-N
SMILES:
CC1CCCC(=O)C1I
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.985g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.068g/mol
Monoisotopic Mass:
237.985g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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