UCSF

ZINC02040252

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 12 Yes

Popular Name: 4-(tert-Butyl)benzyl alcohol 4-(tert-Butyl)benzyl alcohol

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CAS Number: 877-65-6

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) 2.98 -0.21 -4.03 1 1 0 20 164.248 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 128-130°C Fluorochem
Boiling_Point 139-140?/20mm Alfa-Aesar
Boiling_Point 139-140°/20mm Alfa-Aesar
BP 238 TCI
Purity 98% Fluorochem

Activity (Go SEA)

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