UCSF

ZINC01295393

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 10 Yes

Popular Name: 1,2,4,5-Tetramethylbenzene 1,2,4,5-Tetramethylbenzene

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CAS Numbers: 488-23-3 , 95-93-2 , [95-93-2]

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) 3.59 2.37 -2.41 0 0 0 0 134.222 0 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 191-193? Alfa-Aesar
Boiling_Point 191-193° Alfa-Aesar
BP 197 TCI
Melting_Point 77-80? Alfa-Aesar
Melting_Point 77-80° Alfa-Aesar
MP 80 TCI

Activity (Go SEA)

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