| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 15 | No |
Popular Name: 3-(4-Cyanophenyl)-3-oxo-propionic acid methylester 3-(4-Cyanophenyl)-3-oxo-propioni…
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CAS Number: 101341-45-1
3-(4-Cyano-phenyl)-3-oxo-propionic acid methyl ester
3-(4-Cyano-phenyl)-3-oxo-propionicacidmethylester
| 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) | 1.04 | 7.12 | -16.06 | 0 | 4 | 0 | 67 | 203.197 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 98-99° | Oakwood Chemical |
No pre-computed analogs available. Try a structural similarity search.
