| CAS Number | 91061-47-1 |
| Catalog Number | AG01A9TQ |
| Chemical Name | 2-Hydroxy-3-phenylbutanoic acid |
| IUPAC Name | 2-hydroxy-3-phenylbutanoic acid |
| InChI | InChI=1S/C10H12O3/c1-7(9(11)10(12)13)8-5-3-2-4-6-8/h2-7,9,11H,1H3,(H,12,13) |
| InChI Key | QLCVGHRWKIOGCM-UHFFFAOYSA-N |
| MDL Number | MFCD14622119 |
| Molecular Formula | C10H12O3 |
| Molecular Weight | 180.2005 |
| SMILES | CC(C1=CC=CC=C1)C(C(O)=O)O |
| Synonyms | 2-hydroxy-3-phenylbutanoic acid,
91061-47-1,
AC1Q1LH9,
SCHEMBL7525226,
AKOS008146431,
MCULE-2096048463,
EN300-66113,
|
| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.203g/mol |
| Monoisotopic Mass | 180.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number