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84839-91-8 | 1-Propanone, 3-(2-methylphenyl)-1-phenyl-
CAS No: 84839-91-8 Catalog No: AG004N44 MDL No:
Product Description
Catalog Number:
AG004N44
Chemical Name:
1-Propanone, 3-(2-methylphenyl)-1-phenyl-
CAS Number:
84839-91-8
Molecular Formula:
C16H16O
Molecular Weight:
224.2976
IUPAC Name:
3-(2-methylphenyl)-1-phenylpropan-1-one
InChI:
InChI=1S/C16H16O/c1-13-7-5-6-8-14(13)11-12-16(17)15-9-3-2-4-10-15/h2-10H,11-12H2,1H3
InChI Key:
NLXWIEOJEBAXRH-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CCc1ccccc1C
Properties
Complexity:
240
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:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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