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68655-16-3 | Cyclohexanone, 2-(iodomethylene)-, (E)-
CAS No: 68655-16-3 Catalog No: AG005OXV MDL No:
Product Description
Catalog Number:
AG005OXV
Chemical Name:
Cyclohexanone, 2-(iodomethylene)-, (E)-
CAS Number:
68655-16-3
Molecular Formula:
C7H9IO
Molecular Weight:
236.0502
IUPAC Name:
2-(iodomethylidene)cyclohexan-1-one
InChI:
InChI=1S/C7H9IO/c8-5-6-3-1-2-4-7(6)9/h5H,1-4H2
InChI Key:
NJQHDRGYCBWCQC-UHFFFAOYSA-N
SMILES:
I/C=C/1\CCCCC1=O
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.97g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.052g/mol
Monoisotopic Mass:
235.97g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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