| CAS Number | 65614-75-7 |
| Catalog Number | AG006QMH(AGN-PC-0KKMM7) |
| Chemical Name | 1-(3,4-Dimethylphenyl)-2-phenylethan-1-one |
| IUPAC Name | 1-(3,4-dimethylphenyl)-2-phenylethanone |
| InChI | InChI=1S/C16H16O/c1-12-8-9-15(10-13(12)2)16(17)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3 |
| InChI Key | PAPZMGGNYJDWLD-UHFFFAOYSA-N |
| MDL Number | MFCD00156722 |
| Molecular Formula | C16H16O |
| Molecular Weight | 224.2976 |
| SMILES | CC1=C(C)C=C(C(CC2=CC=CC=C2)=O)C=C1 |
| Synonyms | 1-(3,4-dimethylphenyl)-2-phenylethan-1-one,
65614-75-7,
BENZYL 3,4-DIMETHYLPHENYL KETONE,
AC1MBYHX,
AC1Q2DSF,
SCHEMBL7040136,
CTK5C2916,
DTXSID30374403,
ZINC4829949,
AKOS002663282,
MCULE-2716232058,
NE23755,
1-(3,4-dimethylphenyl)-2-phenylethanone,
Z1354416078,
CID2758586,
1-(3,4-dimethylphenyl)-2-phenyl-ethanone,
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| Complexity | 252 |
| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number