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160878-96-6 | 2-Cyclohepten-1-one, 2-iodo-
CAS No: 160878-96-6 Catalog No: AG001VFJ MDL No:MFCD15527156
Product Description
Catalog Number:
AG001VFJ
Chemical Name:
2-Cyclohepten-1-one, 2-iodo-
CAS Number:
160878-96-6
Molecular Formula:
C7H9IO
Molecular Weight:
236.0502
MDL Number:
MFCD15527156
IUPAC Name:
2-iodocyclohept-2-en-1-one
InChI:
InChI=1S/C7H9IO/c8-6-4-2-1-3-5-7(6)9/h4H,1-3,5H2
InChI Key:
MJVYKSVGOSLLJM-UHFFFAOYSA-N
SMILES:
O=C1CCCCC=C1I
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:
0
XLogP3:
2.1
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