| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 11 | Yes |
Popular Name: 3,4-Dimethyl-cyclohex-3-enecarboxylic acid 3,4-Dimethyl-cyclohex-3-enecarbo…
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CAS Numbers: 159910-03-9 , 23182-07-2 , [23182-07-2]
3,4-dimethyl-cyclohex-3-enecarboxylicacid
3-Cyclohexene-1-carboxylic acid, 3,4-dimethyl-, (1S)- (9CI)
| 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) | 2.22 | 5.58 | -47.7 | 0 | 2 | -1 | 40 | 153.201 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 122124°/4mm | Oakwood Chemical |
| MP | 80-81° | Oakwood Chemical |
| Warnings | IRRITANT | Matrix Scientific |
