| CAS Number | 82620-73-3 |
| Catalog Number | AG01A4E4(AGN-PC-0NIXVF) |
| Chemical Name | 1-(2-Methoxy-5-methylphenyl)propan-1-one |
| IUPAC Name | 1-(2-methoxy-5-methylphenyl)propan-1-one |
| InChI | InChI=1S/C11H14O2/c1-4-10(12)9-7-8(2)5-6-11(9)13-3/h5-7H,4H2,1-3H3 |
| InChI Key | HXJFDGOJFTWPIR-UHFFFAOYSA-N |
| MDL Number | MFCD09891209 |
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.2277 |
| SMILES | CCC(C1=C(OC)C=CC(C)=C1)=O |
| Synonyms | 1-(2-methoxy-5-methylphenyl)propan-1-one,
82620-73-3,
2'-methoxy-5'-methylpropiophenone,
4-Methyl-2-propionylanisole,
SCHEMBL9579295,
HXJFDGOJFTWPIR-UHFFFAOYSA-N,
ZINC11631525,
AKOS000299345,
NE14586,
|
| Complexity | 177 |
| 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 | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number