UCSF

ZINC00056412

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 Yes

Popular Name: Trimethyl benzene-1,3,5-tricarboxylate Trimethyl benzene-1,3,5-tricarbo…

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CAS Number: 2672-58-4

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) 2.38 6.41 -9.51 0 6 0 79 252.222 6 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 144 - 147 Acros Organics
Melting_Point 144-147? Alfa-Aesar
Melting_Point 144-147° Alfa-Aesar
MP 146 TCI
BP 230 / 0.5 TCI
Purity 95% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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