UCSF

ZINC00391876

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 13 Yes

Popular Name: Ethyl phenylpropiolate Ethyl phenylpropiolate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2216-94-6 , [2216-94-6]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 2.38 3.04 -6.02 0 2 0 26 174.199 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 103 / 0.3 TCI
Boiling_Point 152-153?/21mm Alfa-Aesar
Boiling_Point 152-153°/21mm Alfa-Aesar
BP [°C] 260 - 270 Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )