| CAS Number | 4374-63-4 |
| Catalog Number | AG01B8SX(AGN-PC-0RRY6A) |
| Chemical Name | 2-Hydroxy-2-methyl-4-phenylbutanoic acid |
| IUPAC Name | 2-hydroxy-2-methyl-4-phenylbutanoic acid |
| InChI | InChI=1S/C11H14O3/c1-11(14,10(12)13)8-7-9-5-3-2-4-6-9/h2-6,14H,7-8H2,1H3,(H,12,13) |
| InChI Key | DAVARADSUFYREX-UHFFFAOYSA-N |
| MDL Number | MFCD14601982 |
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.2271 |
| SMILES | CC(C(O)=O)(CCC1=CC=CC=C1)O |
| Synonyms | 2-hydroxy-2-methyl-4-phenylbutanoic acid,
4374-63-4,
SCHEMBL5475208,
AKOS010489313,
CID11041639,
2-hydroxy-2-methyl-4-phenyl-butanoic Acid,
|
| Complexity | 197 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.23g/mol |
| Monoisotopic Mass | 194.094g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number