UCSF

ZINC01081287

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 12 Yes

Popular Name: 2',4',6'-Trimethylacetophenone 2',4',6'-Trimethylacetophenone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 121034-95-5 , 1667-01-2 , 51885-97-3 , [1667-01-2]

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) 3.04 2.52 -5.9 0 1 0 17 162.232 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 235-236? Alfa-Aesar
Boiling_Point 235-236° Alfa-Aesar
BP 236 TCI

Activity (Go SEA)

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