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113598-55-3 | 1-Propanone, 2,2-dimethyl-1-(4-methylphenyl)-3-phenyl-
CAS No: 113598-55-3 Catalog No: AG000939 MDL No:
Product Description
Catalog Number:
AG000939
Chemical Name:
1-Propanone, 2,2-dimethyl-1-(4-methylphenyl)-3-phenyl-
CAS Number:
113598-55-3
Molecular Formula:
C18H20O
Molecular Weight:
252.3508
IUPAC Name:
2,2-dimethyl-1-(4-methylphenyl)-3-phenylpropan-1-one
InChI:
InChI=1S/C18H20O/c1-14-9-11-16(12-10-14)17(19)18(2,3)13-15-7-5-4-6-8-15/h4-12H,13H2,1-3H3
InChI Key:
XGISNQVULPYDMJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)C(Cc1ccccc1)(C)C
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.151g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.357g/mol
Monoisotopic Mass:
252.151g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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