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141281-89-2 | 2-Cyclohexen-1-one, 3-[(4-chlorophenyl)methyl]-6,6-dimethyl-
CAS No: 141281-89-2 Catalog No: AG001G6J MDL No:
Product Description
Catalog Number:
AG001G6J
Chemical Name:
2-Cyclohexen-1-one, 3-[(4-chlorophenyl)methyl]-6,6-dimethyl-
CAS Number:
141281-89-2
Molecular Formula:
C15H17ClO
Molecular Weight:
248.7479
IUPAC Name:
3-[(4-chlorophenyl)methyl]-6,6-dimethylcyclohex-2-en-1-one
InChI:
InChI=1S/C15H17ClO/c1-15(2)8-7-12(10-14(15)17)9-11-3-5-13(16)6-4-11/h3-6,10H,7-9H2,1-2H3
InChI Key:
LBVGTOOWNMVMLA-UHFFFAOYSA-N
SMILES:
O=C1C=C(CCC1(C)C)Cc1ccc(cc1)Cl
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.097g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.75g/mol
Monoisotopic Mass:
248.097g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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