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157952-85-7 | 2-Cyclohexen-1-one, 2-iodo-4,4-dimethyl-
CAS No: 157952-85-7 Catalog No: AG001PVC MDL No:
Product Description
Catalog Number:
AG001PVC
Chemical Name:
2-Cyclohexen-1-one, 2-iodo-4,4-dimethyl-
CAS Number:
157952-85-7
Molecular Formula:
C8H11IO
Molecular Weight:
250.0768
IUPAC Name:
2-iodo-4,4-dimethylcyclohex-2-en-1-one
InChI:
InChI=1S/C8H11IO/c1-8(2)4-3-7(10)6(9)5-8/h5H,3-4H2,1-2H3
InChI Key:
GCYIUYNQBWWXBZ-UHFFFAOYSA-N
SMILES:
IC1=CC(C)(C)CCC1=O
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.985g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.079g/mol
Monoisotopic Mass:
249.985g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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