| CAS Number | 170170-51-1 |
| Catalog Number | AG019VBV |
| Chemical Name | 3-(4-Acetyl-2-methoxyphenoxy)propanoic acid |
| IUPAC Name | 3-(4-acetyl-2-methoxyphenoxy)propanoic acid |
| InChI | InChI=1S/C12H14O5/c1-8(13)9-3-4-10(11(7-9)16-2)17-6-5-12(14)15/h3-4,7H,5-6H2,1-2H3,(H,14,15) |
| InChI Key | GZCAZDATCFYBEF-UHFFFAOYSA-N |
| MDL Number | MFCD09046112 |
| Molecular Formula | C12H14O5 |
| Molecular Weight | 238.2366 |
| SMILES | COC1=C(OCCC(O)=O)C=CC(C(C)=O)=C1 |
| Synonyms | 3-(4-acetyl-2-methoxyphenoxy)propanoic acid,
170170-51-1,
AC1Q479J,
SCHEMBL2561706,
CTK6J7680,
ZINC21964743,
AKOS000129927,
MCULE-8693862799,
EN300-44835,
Z1270312129,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.239g/mol |
| Monoisotopic Mass | 238.084g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 72.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number