UCSF

ZINC01596545

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 9 Yes

Popular Name: 2-Acetyl-5-methylfuran 2-Acetyl-5-methylfuran

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1193-79-9 , [1193-79-9]

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) 1.32 3.91 -5.99 0 2 0 30 124.139 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 100-101?/25mm Alfa-Aesar
Boiling_Point 100-101°/25mm Alfa-Aesar
BP 69 TCI
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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