| CAS Number | 104216-93-5 |
| Catalog Number | AG01DILU(AGN-PC-0OT2A3) |
| Chemical Name | 2-Hydroxy-5-phenylpentanoic acid |
| IUPAC Name | 2-hydroxy-5-phenylpentanoic acid |
| InChI | InChI=1S/C11H14O3/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10,12H,4,7-8H2,(H,13,14) |
| InChI Key | JZWSJKRJDWHVBS-UHFFFAOYSA-N |
| MDL Number | MFCD21296519 |
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.2271 |
| SMILES | OC(C(O)=O)CCCC1=CC=CC=C1 |
| Synonyms | 2-hydroxy-5-phenylpentanoic acid,
104216-93-5,
Benzenepentanoic acid, alpha-hydroxy-,
phenylpropylglycolic acid,
SCHEMBL3623271,
MFCD21296519,
AKOS014777496,
|
| Complexity | 173 |
| 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 | 5 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number