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158511-72-9 | 1-Propanone, 1-(3,4-dimethylphenyl)-3-phenyl-
CAS No: 158511-72-9 Catalog No: AG001Q8O MDL No:
Product Description
Catalog Number:
AG001Q8O
Chemical Name:
1-Propanone, 1-(3,4-dimethylphenyl)-3-phenyl-
CAS Number:
158511-72-9
Molecular Formula:
C17H18O
Molecular Weight:
238.3242
IUPAC Name:
1-(3,4-dimethylphenyl)-3-phenylpropan-1-one
InChI:
InChI=1S/C17H18O/c1-13-8-10-16(12-14(13)2)17(18)11-9-15-6-4-3-5-7-15/h3-8,10,12H,9,11H2,1-2H3
InChI Key:
VMAQVBNCVJRMAV-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)C)C)CCc1ccccc1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.33g/mol
Monoisotopic Mass:
238.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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