| CAS Number | 79478-16-3 |
| Catalog Number | AG01DWOA(AGN-PC-0UEMPE) |
| Chemical Name | 2-Oxo-2-(4-phenoxyphenyl)acetic acid |
| IUPAC Name | 2-oxo-2-(4-phenoxyphenyl)acetic acid |
| InChI | InChI=1S/C14H10O4/c15-13(14(16)17)10-6-8-12(9-7-10)18-11-4-2-1-3-5-11/h1-9H,(H,16,17) |
| InChI Key | PGZNZMXCYFYRSS-UHFFFAOYSA-N |
| MDL Number | MFCD11539581 |
| Molecular Formula | C14H10O4 |
| Molecular Weight | 242.2268 |
| SMILES | OC(C(C1=CC=C(OC2=CC=CC=C2)C=C1)=O)=O |
| Synonyms | 2-oxo-2-(4-phenoxyphenyl)acetic acid,
79478-16-3,
SCHEMBL4166171,
ZINC37309341,
AKOS009312646,
|
| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.23g/mol |
| Monoisotopic Mass | 242.058g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number