| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 15 | No |
Popular Name: tert-Butyl 3-formylbenzoate tert-Butyl 3-formylbenzoate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 247186-56-7 , [247186-56-7]
| 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) | 3.06 | 6.9 | -6.95 | 0 | 3 | 0 | 43 | 206.241 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 31 - 33 | Enamine Building Blocks |
| MP | 31...33 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| Purity | 90% | Fluorochem |
| Purity | 90+% | Matrix Scientific |
| purity | 95 | Enamine Building Blocks |
| PUBCHEM_PATENT_ID | EP0180188A2; EP0180188B1; EP0180897A2; EP0180897B1; EP0323441A2; EP0323441B1; EP0436902A1; EP0436902B1; US4864021; US4983609; US5155113 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.