| CAS Number | 849586-52-3 |
| Catalog Number | AG01AFQM(AGN-PC-01MPLF) |
| Chemical Name | Methyl 3-(4-methoxy-2-methylphenyl)propanoate |
| IUPAC Name | methyl 3-(4-methoxy-2-methylphenyl)propanoate |
| InChI | InChI=1S/C12H16O3/c1-9-8-11(14-2)6-4-10(9)5-7-12(13)15-3/h4,6,8H,5,7H2,1-3H3 |
| InChI Key | YEVSYHSLONKQGA-UHFFFAOYSA-N |
| MDL Number | MFCD23708245 |
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.2536 |
| SMILES | COC(CCC1=C(C)C=C(OC)C=C1)=O |
| Synonyms | methyl 3-(4-methoxy-2-methylphenyl)propanoate,
849586-52-3,
SCHEMBL63388,
ZINC82721874,
AKOS022861048,
MCULE-1708062310,
NE45156,
Z1742056071,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.257g/mol |
| Monoisotopic Mass | 208.11g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number