| CAS Number | 6828-41-7 |
| Catalog Number | AG01BC6Z(AGN-PC-0TRXFW) |
| Chemical Name | 3-Hydroxy-4-phenylbutanoic acid |
| IUPAC Name | 3-hydroxy-4-phenylbutanoic acid |
| InChI | InChI=1S/C10H12O3/c11-9(7-10(12)13)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13) |
| InChI Key | OLQHWMVTGZBGLG-UHFFFAOYSA-N |
| MDL Number | MFCD16302029 |
| Molecular Formula | C10H12O3 |
| Molecular Weight | 180.2005 |
| SMILES | OC(CC1=CC=CC=C1)CC(O)=O |
| Synonyms | 3-hydroxy-4-phenylbutanoic acid,
6828-41-7,
3-hydroxy-4-phenylbutyric acid,
SCHEMBL1861755,
AKOS011682309,
Z2168496061,
3-hydroxy-4-phenyl-butanoic Acid,
CID11708165,
|
| Complexity | 162 |
| 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 | 4 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number