UCSF

ZINC12648897

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2008 16 Yes

Popular Name: 4-tert-Butyl-2-ethoxy-benzoic acid 4-tert-Butyl-2-ethoxy-benzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 73469-54-2 , 796875-53-1 , [796875-53-1]

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) 4.00 7.43 -57.18 0 3 -1 49 221.276 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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