UCSF

ZINC00407068

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 18 Yes

Popular Name: Trimethyl trimellitate Trimethyl trimellitate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 10/1/2459 12:00:00 AM , 2459-10-1 , [2459-10-1]

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) 1.70 4.56 -13.22 0 6 0 78 252.222 6 ↓

Vendor Notes

Note Type Comments Provided By
BP 189 / 12 TCI
Boiling_Point 193-195?/12mm Alfa-Aesar
Boiling_Point 193-195°/12mm Alfa-Aesar
Melting_Point 38-40? Alfa-Aesar
Melting_Point 38-40° Alfa-Aesar

Activity (Go SEA)

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