UCSF

ZINC01387078

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 13 No

Popular Name: 5-tert-Butylsalicylaldehyde 5-tert-Butylsalicylaldehyde

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CAS Number: 2725-53-3

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) 3.35 0.89 -6.64 1 2 0 37 178.231 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 0 KeyOrganics
Purity 95% Fluorochem

Activity (Go SEA)

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