UCSF

ZINC01693403

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 11 Yes

Popular Name: 2',5'-Dimethylacetophenone 2',5'-Dimethylacetophenone

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CAS Numbers: 2142-73-6 , [2142-73-6]

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) 2.66 2.17 -5.9 0 1 0 17 148.205 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 112 / 18 TCI
BP 112°/8mm Fluorochem
BP 195° Oakwood Chemical
Boiling_Point 230-231? Alfa-Aesar
Boiling_Point 230-231° Alfa-Aesar
Purity 98% Fluorochem
Purity 99% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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