UCSF

ZINC00389554

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 14 Yes

Popular Name: Ethyl 3-phenylbut-2-enoate Ethyl 3-phenylbut-2-enoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1504-72-9 , 945-93-7 , [1504-72-9] , [945-93-7]

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) 2.78 2.83 -4.25 0 2 0 26 190.242 4 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 142 - 144 (p=15 torr) Acros Organics
Purity 97% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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