| CAS Number | 13278-26-7 |
| Catalog Number | AG01C2KX(AGN-PC-0PJU28) |
| Chemical Name | 3-Hydroxy-3-phenylpentanoic acid |
| IUPAC Name | 3-hydroxy-3-phenylpentanoic acid |
| InChI | InChI=1S/C11H14O3/c1-2-11(14,8-10(12)13)9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3,(H,12,13) |
| InChI Key | AABQFWMUVKJALN-UHFFFAOYSA-N |
| MDL Number | MFCD11935402 |
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.2271 |
| NSC Number | 168216 |
| SMILES | CCC(C1=CC=CC=C1)(CC(O)=O)O |
| Synonyms | 3-Hydroxy-3-phenylpentanoic acid,
13278-26-7,
3-Hydroxy-3-phenylvaleric acid,
NSC168216,
AC1L6RCO,
SCHEMBL295742,
3-Phenyl-3-hydroxy-pentansaeure,
DTXSID10304920,
AABQFWMUVKJALN-UHFFFAOYSA-N,
3-Hydroxy-3-phenylpentanoic acid #,
AKOS011681908,
NSC-168216,
Z2309759514,
2845-30-9,
CID297250,
|
| 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 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number