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868705-04-8 | ETHANONE, 2-(2,6-DIMETHYLPHENYL)-1-PHENYL-
CAS No: 868705-04-8 Catalog No: AG004PH5 MDL No:
Product Description
Catalog Number:
AG004PH5
Chemical Name:
ETHANONE, 2-(2,6-DIMETHYLPHENYL)-1-PHENYL-
CAS Number:
868705-04-8
Molecular Formula:
C16H16O
Molecular Weight:
224.2976
IUPAC Name:
2-(2,6-dimethylphenyl)-1-phenylethanone
InChI:
InChI=1S/C16H16O/c1-12-7-6-8-13(2)15(12)11-16(17)14-9-4-3-5-10-14/h3-10H,11H2,1-2H3
InChI Key:
ORXWZKKYZBGIAH-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Cc1c(C)cccc1C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.12g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.303g/mol
Monoisotopic Mass:
224.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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