| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2009 | 14 | Yes |
Popular Name: (R)-2-(2-Acetylphenyl)-2-hydroxyacetic acid (R)-2-(2-Acetylphenyl)-2-hydroxy…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 51019-43-3 , 5438-68-6 , 7322-88-5 , 915971-32-3 , [915971-32-3]
(R)-(-)-?-Acetoxyphenylacetic acid
(R)-(-)-alpha-Acetoxyphenylacetic acid
(R)-(-)-O-Acetylmandelic acid, 98%
(R)-(-)-^a-Acetoxyphenylacetic acid
(S)-(+)-O-Acetyl-L-mandelic acid
2-(2-Acetylphenyl)-2-hydroxyacetic acid
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.22 | 4.74 | -57.4 | 1 | 4 | -1 | 77 | 193.178 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95+% | Matrix Scientific |
| Melting_Point | 97-99? | Alfa-Aesar |
| MP | 97-99° | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0021178A1; EP0146810A2; EP0273017A2; EP0273017B1; EP0313295A2; EP0313295B1; EP0313296A2; EP0619320A1; EP0619320B1; EP0623122A1; EP0623122B1; EP0625920B1; EP0739204A1; EP0748247A1; EP0789553A1; EP1024137A1; EP1029852A1; EP1050297A2; EP1050297A3; EP105674 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.