| CAS Number | 938125-47-4 |
| Catalog Number | AG01BA15 |
| Chemical Name | 3-(2-ethylphenoxy)propanoic acid |
| IUPAC Name | 3-(2-ethylphenoxy)propanoic acid |
| InChI | InChI=1S/C11H14O3/c1-2-9-5-3-4-6-10(9)14-8-7-11(12)13/h3-6H,2,7-8H2,1H3,(H,12,13) |
| InChI Key | SLMQDZRUTHSLNN-UHFFFAOYSA-N |
| MDL Number | MFCD09704596 |
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.2271 |
| SMILES | CCC1=C(OCCC(O)=O)C=CC=C1 |
| Synonyms | 3-(2-ethylphenoxy)propanoic acid,
938125-47-4,
ZINC11954222,
AKOS009370994,
Z2065464280,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.23g/mol |
| Monoisotopic Mass | 194.094g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number