| CAS Number | 938340-11-5 |
| Catalog Number | AG01AGJ2 |
| Chemical Name | 2-(2-Ethylphenoxy)-2-phenylacetic acid |
| IUPAC Name | 2-(2-ethylphenoxy)-2-phenylacetic acid |
| InChI | InChI=1S/C16H16O3/c1-2-12-8-6-7-11-14(12)19-15(16(17)18)13-9-4-3-5-10-13/h3-11,15H,2H2,1H3,(H,17,18) |
| InChI Key | RYDRUZNZECLWDC-UHFFFAOYSA-N |
| MDL Number | MFCD09719434 |
| Molecular Formula | C16H16O3 |
| Molecular Weight | 256.2964 |
| SMILES | CCC1=C(OC(C2=CC=CC=C2)C(O)=O)C=CC=C1 |
| Synonyms | 2-(2-ethylphenoxy)-2-phenylacetic acid,
938340-11-5,
AC1Q2T65,
AKOS009371170,
MCULE-8063925804,
NE36323,
NCGC00339242-01,
EN300-72001,
AB01331676-02,
Z234897613,
|
| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.301g/mol |
| Monoisotopic Mass | 256.11g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number