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854692-50-5 | 3-(3,5-DIMETHYLPHENYL)PROPIOPHENONE
CAS No: 854692-50-5 Catalog No: AG004NAJ MDL No:
Product Description
Catalog Number:
AG004NAJ
Chemical Name:
3-(3,5-DIMETHYLPHENYL)PROPIOPHENONE
CAS Number:
854692-50-5
Molecular Formula:
C17H18O
Molecular Weight:
238.3242
IUPAC Name:
3-(3,5-dimethylphenyl)-1-phenylpropan-1-one
InChI:
InChI=1S/C17H18O/c1-13-10-14(2)12-15(11-13)8-9-17(18)16-6-4-3-5-7-16/h3-7,10-12H,8-9H2,1-2H3
InChI Key:
INDOBHNSXIZSKK-UHFFFAOYSA-N
SMILES:
Cc1cc(CCC(=O)c2ccccc2)cc(c1)C
Properties
Complexity:
255
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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