| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 9th, 2008 | 15 | No |
Popular Name: Ethyl caffeate Ethyl caffeate
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CAS Numbers: 102-37-4 , 66648-50-8 , 74257-25-3
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, ethyl ester, (2Z)- (9CI)
3,4-Dihydroxycinnamic acid ethyl ester
Ethyl 3,4-dihydroxycinnamate, 97%
Ethyl 3-(3,4-dihydroxyphenyl)acrylate
| 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) | 1.93 | 2.23 | -11.91 | 2 | 4 | 0 | 67 | 208.213 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.