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89084-55-9 | 5-Hexen-2-one, 4,6,6-trichloro-3,3-dimethyl-
CAS No: 89084-55-9 Catalog No: AG0040LE MDL No:
Product Description
Catalog Number:
AG0040LE
Chemical Name:
5-Hexen-2-one, 4,6,6-trichloro-3,3-dimethyl-
CAS Number:
89084-55-9
Molecular Formula:
C8H11Cl3O
Molecular Weight:
229.5313
IUPAC Name:
4,6,6-trichloro-3,3-dimethylhex-5-en-2-one
InChI:
InChI=1S/C8H11Cl3O/c1-5(12)8(2,3)6(9)4-7(10)11/h4,6H,1-3H3
InChI Key:
UWWMQSVMJPKWQS-UHFFFAOYSA-N
SMILES:
ClC(=CC(C(C(=O)C)(C)C)Cl)Cl
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.988g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.525g/mol
Monoisotopic Mass:
227.988g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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