| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 16 | Yes |
Popular Name: (R)-3-Benzyl-4-methoxy-4-oxobutanoic acid (R)-3-Benzyl-4-methoxy-4-oxobuta…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 119807-84-0 , 182247-45-6 , 651013-72-8 , [119807-84-0]
(R)-(+)-2-BENZYLSUCCINIC ACID 1-METHYL ESTER
(R)-(+)-2-Benzylsuccinic acid 1-methyl ester, 96%, ee 98+%
(R)-(+)-2-BENZYLSUCCINICACID1-METHYLESTER
(R)-(+)-3-Methoxycarbonyl-4-phenylbutyric acid
(R)-2-Benzylsuccinic acid-1-methyl ester, 95%, 98% ee
(S)-(-)-2-Benzylsuccinic acid 1-methyl ester
(S)-(-)-2-Benzylsuccinic acid 1-methyl ester, 98+%, ee 98+%
(S)-(-)-2-BENZYLSUCCINICACID1-METHYLESTER
(S)-(-)-3-Methoxycarbonyl-4-phenylbutyric acid
(S)-2-Benzylsuccinic acid-1-methyl ester
| 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) | 1.87 | 7.29 | -46.05 | 0 | 4 | -1 | 66 | 221.232 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0349922A2; EP0561758A3; US5229369 | IBM Patent Data |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
