UCSF

ZINC01653028

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 17 Yes

Popular Name: 2,6-Di-tert-butyl-4-ethylphenol 2,6-Di-tert-butyl-4-ethylphenol

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CAS Numbers: 4130-42-1 , [4130-42-1]

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) 5.90 2.93 -2.31 1 1 0 20 234.383 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 137 / 10 TCI
Boiling_Point 272? Alfa-Aesar
Boiling_Point 272° Alfa-Aesar
Melting_Point 42-44? Alfa-Aesar
Melting_Point 42-44° Alfa-Aesar
MP 45 TCI

Activity (Go SEA)

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