UCSF

ZINC01747252

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 14 No

Popular Name: 3,4-Dimethoxyphenylacetone 3,4-Dimethoxyphenylacetone

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CAS Numbers: 776-99-8 , [776-99-8]

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) 1.31 4.97 -11.89 0 3 0 36 194.23 4 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 154-158?/12mm Alfa-Aesar
Boiling_Point 154-158°/12mm Alfa-Aesar
BP 167 / 17 TCI
Purity 95% Fluorochem

Activity (Go SEA)

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