UCSF

ZINC01674871

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 13 Yes

Popular Name: 4-Acetylphenyl acetate 4-Acetylphenyl acetate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 13031-43-1 , [13031-43-1]

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) 1.39 6.14 -10.83 0 3 0 43 178.187 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 165-170?/14mm Alfa-Aesar
Boiling_Point 165-170°/14mm Alfa-Aesar
BP 170 / 19 TCI
Melting_Point 51-54? Alfa-Aesar
Melting_Point 51-54° Alfa-Aesar
M.P 51-55 °C Indofine
MP 54 TCI
Purity 95% Fluorochem

Activity (Go SEA)

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