| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 9 | Yes |
Popular Name: 3,3-dimethyl-4-pentenoic acid 3,3-dimethyl-4-pentenoic acid
Find On: PubMed — Wikipedia — Google
CAS Number: 7796-73-8
| 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) | 1.63 | 4.94 | -41.5 | 0 | 2 | -1 | 40 | 127.163 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.63 | 2.97 | -4.07 | 1 | 2 | 0 | 37 | 128.171 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0085095A1; EP0835248A1; EP0998468A1; US4415748; WO1999005130A1; WO2000023413A1; WO2000026194A1 | IBM Patent Data |
