UCSF

ZINC00157882

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

Popular Name: Methyl 5-acetylsalicylate Methyl 5-acetylsalicylate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 16475-90-4 , [16475-90-4]

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) 2.01 1.31 -12.39 1 4 0 64 194.186 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 167 / 15 TCI
Melting_Point 58-62? Alfa-Aesar
Melting_Point 58-62° Alfa-Aesar
MP 60 TCI
M.P 62-64 °C Indofine
Purity 97% Fluorochem

Activity (Go SEA)

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