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28746-59-0 | 1,3-Cyclohexanedione, 2-[(4-chlorophenyl)methylene]-5,5-dimethyl-
CAS No: 28746-59-0 Catalog No: AG002WC6 MDL No:
Product Description
Catalog Number:
AG002WC6
Chemical Name:
1,3-Cyclohexanedione, 2-[(4-chlorophenyl)methylene]-5,5-dimethyl-
CAS Number:
28746-59-0
Molecular Formula:
C15H15ClO2
Molecular Weight:
262.7314
IUPAC Name:
2-[(4-chlorophenyl)methylidene]-5,5-dimethylcyclohexane-1,3-dione
InChI:
InChI=1S/C15H15ClO2/c1-15(2)8-13(17)12(14(18)9-15)7-10-3-5-11(16)6-4-10/h3-7H,8-9H2,1-2H3
InChI Key:
ZUHLKNPRKUADNE-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)CC(=O)C1=Cc1ccc(cc1)Cl
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.076g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.733g/mol
Monoisotopic Mass:
262.076g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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