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86396-24-9 | 1,3-Cyclohexanedione, 5,5-dimethyl-4-phenyl-
CAS No: 86396-24-9 Catalog No: AG004R77 MDL No:
Product Description
Catalog Number:
AG004R77
Chemical Name:
1,3-Cyclohexanedione, 5,5-dimethyl-4-phenyl-
CAS Number:
86396-24-9
Molecular Formula:
C14H16O2
Molecular Weight:
216.2756
IUPAC Name:
5,5-dimethyl-4-phenylcyclohexane-1,3-dione
InChI:
InChI=1S/C14H16O2/c1-14(2)9-11(15)8-12(16)13(14)10-6-4-3-5-7-10/h3-7,13H,8-9H2,1-2H3
InChI Key:
QPDAUGDDIALNNE-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)C(C(C1)(C)C)c1ccccc1
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.28g/mol
Monoisotopic Mass:
216.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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