| CAS Number | 66637-86-3 |
| Catalog Number | AG01EWUA(AGN-PC-0TLFEH) |
| Chemical Name | 2-Hydroxy-2-(3-phenoxyphenyl)acetic acid |
| IUPAC Name | 2-hydroxy-2-(3-phenoxyphenyl)acetic acid |
| InChI | InChI=1S/C14H12O4/c15-13(14(16)17)10-5-4-8-12(9-10)18-11-6-2-1-3-7-11/h1-9,13,15H,(H,16,17) |
| InChI Key | FPUCYPXKIFVDSD-UHFFFAOYSA-N |
| MDL Number | MFCD03789126 |
| Molecular Formula | C14H12O4 |
| Molecular Weight | 244.2427 |
| SMILES | O(C1=CC=CC=C1)C=1C=C(C(C(=O)O)O)C=CC1 |
| Synonyms | 3-Phenoxymandelic acid,
66637-86-3,
2-hydroxy-2-(3-phenoxyphenyl)acetic Acid,
AC1MC2GY,
racemic 3-phenoxymandelic acid,
SCHEMBL5494789,
FPUCYPXKIFVDSD-UHFFFAOYSA-N,
MFCD03789126,
AKOS010056234,
FS-5545,
CID2760344,
Benzeneacetic acid, cent-hydroxy-3-phenoxy-,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.246g/mol |
| Monoisotopic Mass | 244.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number