| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 16 | No |
Popular Name: 3-[5-chloro-2-(2-propynyloxy)phenyl]acrylic acid 3-[5-chloro-2-(2-propynyloxy)phe…
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CAS Number: 695186-82-4
| 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) | 2.55 | 2.16 | -55.53 | 0 | 3 | -1 | 49 | 235.646 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 1.550000000000000e+002 - 1.580000000000000e+002 | KeyOrganics |
| melting_point | 155 - 158 | KeyOrganics |
| MP | 155-158° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
