| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 12 | Yes |
Popular Name: (S)-2-ISOPROPYLSUCCINIC ACID-1-methyl ESTER (S)-2-ISOPROPYLSUCCINIC ACID-1-m…
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CAS Numbers: 208113-95-5 , [208113-95-5]
(S)-(+)-2-Isopropylsuccinic acid 1-methyl ester
(S)-2-Isopropylsuccinic acid-1-methyl ester, 95%, 98% ee
(s)-2-isopropylsuccinicacid1-methylester
(S)-3-(Methoxycarbonyl)-4-methylpentanoic 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) | 1.94 | 4.41 | -44.79 | 0 | 4 | -1 | 66 | 173.188 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
