| CAS Number | 16882-24-9 |
| Catalog Number | AG00HZ95 |
| Chemical Name | 1-(4-methoxy-2-methylphenyl)propan-2-one |
| IUPAC Name | 1-(4-methoxy-2-methylphenyl)propan-2-one |
| InChI | InChI=1S/C11H14O2/c1-8-6-11(13-3)5-4-10(8)7-9(2)12/h4-6H,7H2,1-3H3 |
| InChI Key | KEQISZAPZNSVGM-UHFFFAOYSA-N |
| MDL Number | MFCD04038832 |
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.2277 |
| SMILES | COC1=CC(C)=C(CC(C)=O)C=C1 |
| Synonyms | 1-(4-methoxy-2-methylphenyl)propan-2-one,
16882-24-9,
2-Propanone, 1-(4-methoxy-2-methylphenyl)-,
SCHEMBL1922374,
KEQISZAPZNSVGM-UHFFFAOYSA-N,
3-Methyl-4-(2-oxopropyl)anisole,
ZINC2525487,
AKOS006292384,
1-(4-Methoxy-2-methylphenyl)-2-propanone,
|
| 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 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number