| CAS Number | 929975-44-0 |
| Catalog Number | AG00IHFL(AGN-PC-00UXQ6) |
| Chemical Name | 4-[2-(4-phenoxyphenoxy)ethoxy]benzoic acid |
| IUPAC Name | 4-[2-(4-phenoxyphenoxy)ethoxy]benzoic acid |
| InChI | InChI=1S/C21H18O5/c22-21(23)16-6-8-17(9-7-16)24-14-15-25-18-10-12-20(13-11-18)26-19-4-2-1-3-5-19/h1-13H,14-15H2,(H,22,23) |
| InChI Key | CYKLYHQOCRQIOL-UHFFFAOYSA-N |
| MDL Number | MFCD09040436 |
| Molecular Formula | C21H18O5 |
| Molecular Weight | 350.3646 |
| SMILES | OC(C1=CC=C(OCCOC2=CC=C(OC3=CC=CC=C3)C=C2)C=C1)=O |
| Synonyms | 4-[2-(4-phenoxyphenoxy)ethoxy]benzoic acid,
929975-44-0,
AC1Q73GI,
CTK7I8108,
MFCD09040436,
ZINC11891771,
AKOS000119269,
MCULE-4363618644,
NE62441,
EN300-26867,
|
| Complexity | 405 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 350.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 350.37g/mol |
| Monoisotopic Mass | 350.115g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 65A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number