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140710-03-8 | 2-Cyclohexen-1-one, 2-iodo-3-methyl-
CAS No: 140710-03-8 Catalog No: AG001CQP MDL No:
Product Description
Catalog Number:
AG001CQP
Chemical Name:
2-Cyclohexen-1-one, 2-iodo-3-methyl-
CAS Number:
140710-03-8
Molecular Formula:
C7H9IO
Molecular Weight:
236.0502
IUPAC Name:
2-iodo-3-methylcyclohex-2-en-1-one
InChI:
InChI=1S/C7H9IO/c1-5-3-2-4-6(9)7(5)8/h2-4H2,1H3
InChI Key:
CAWRYBQGALUJKS-UHFFFAOYSA-N
SMILES:
IC1=C(C)CCCC1=O
Properties
Complexity:
170
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:
1.5
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