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1552-24-5 | 4-Hexen-3-one, 6,6,6-trichloro-2,2-dimethyl-
CAS No: 1552-24-5 Catalog No: AG001NPZ MDL No:
Product Description
Catalog Number:
AG001NPZ
Chemical Name:
4-Hexen-3-one, 6,6,6-trichloro-2,2-dimethyl-
CAS Number:
1552-24-5
Molecular Formula:
C8H11Cl3O
Molecular Weight:
229.5313
IUPAC Name:
6,6,6-trichloro-2,2-dimethylhex-4-en-3-one
InChI:
InChI=1S/C8H11Cl3O/c1-7(2,3)6(12)4-5-8(9,10)11/h4-5H,1-3H3
InChI Key:
WOMSNCXNBGXQMI-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)C=CC(Cl)(Cl)Cl
Properties
Complexity:
195
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:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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