| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 21st, 2009 | 11 | Yes |
Popular Name: 3-ethynylbenzoic acid 3-ethynylbenzoic acid
Find On: PubMed — Wikipedia — Google
CAS Number: 10601-99-7
| 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) | 1.59 | 5.3 | -52.57 | 0 | 2 | -1 | 40 | 145.137 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 173-176° | Oakwood Chemical |
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.