| CAS Number | 29643-54-7 |
| Catalog Number | AG00C17K |
| Chemical Name | 5-Ethyl-2-methoxyacetophenone |
| IUPAC Name | 1-(5-ethyl-2-methoxyphenyl)ethanone |
| InChI | InChI=1S/C11H14O2/c1-4-9-5-6-11(13-3)10(7-9)8(2)12/h5-7H,4H2,1-3H3 |
| InChI Key | SCUDFCWZFYZEAA-UHFFFAOYSA-N |
| MDL Number | MFCD03789119 |
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.2277 |
| SMILES | C1C(=C(C=CC=1CC)OC)C(C)=O |
| Synonyms | 5-Ethyl-2-methoxyacetophenone,
29643-54-7,
1-(5-ethyl-2-methoxyphenyl)ethanone,
AC1MBZ3J,
SCHEMBL18782458,
5'-ethyl-2'-methoxyacetophenone,
DTXSID40374530,
KS-00003KF8,
ZINC2511042,
AKOS006278117,
FS-1573,
1-(5-ethyl-2-methoxyphenyl)ethan-1-one,
FT-0707328,
J-017589,
ZINC02511042,
CID2758861,
|
| 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 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number