| CAS Number | 55169-98-7 |
| Catalog Number | AG01EWFO(AGN-PC-0KKMLT) |
| Chemical Name | 3,5-Dimethyl-2-methoxyacetophenone |
| IUPAC Name | 1-(2-methoxy-3,5-dimethylphenyl)ethanone |
| InChI | InChI=1S/C11H14O2/c1-7-5-8(2)11(13-4)10(6-7)9(3)12/h5-6H,1-4H3 |
| InChI Key | DWERFCCYBUXHNJ-UHFFFAOYSA-N |
| MDL Number | MFCD03789143 |
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.2277 |
| SMILES | C1C(=C(C(C)=CC=1C)OC)C(C)=O |
| Synonyms | 3,5-Dimethyl-2-methoxyacetophenone,
147623-18-5,
1-(2-methoxy-3,5-dimethylphenyl)ethanone,
55169-98-7,
AC1MBYGQ,
SCHEMBL8431119,
KS-00003KFG,
ZINC2511064,
AKOS006278379,
FS-1586,
2'-methoxy-3',5'-dimethylacetophenone,
3',5'-Dimethyl-2'-methoxyacetophenone,
1-(2-methoxy-3,5-dimethylphenyl)ethan-1-one,
ZINC02511064,
CID2758571,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.231g/mol |
| Monoisotopic Mass | 178.099g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number