UCSF

ZINC00157118

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

Popular Name: Methyl p-tert-butylphenylacetate Methyl p-tert-butylphenylacetate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3549-23-3 , [3549-23-3]

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) 3.69 3.69 -6.14 0 2 0 26 206.285 4 ↓

Vendor Notes

Note Type Comments Provided By
BP 106°/2mm Oakwood Chemical
Boiling_Point 149-151?/30mm Alfa-Aesar
Boiling_Point 149-151°/30mm Alfa-Aesar
Purity 95% Fluorochem

Activity (Go SEA)

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