UCSF

ZINC03861314

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) 0.04 -0.04 -45.42 3 1 1 28 100.063 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 218? subl. Alfa-Aesar
Melting_Point 218° subl. Alfa-Aesar
MP 220-222° Matrix Scientific
Boiling_Point 36-38? Alfa-Aesar
Boiling_Point 36-38° Alfa-Aesar
BP 37-38° Fluorochem
Purity 98% Matrix Scientific
Purity 99% Fluorochem
Warnings IRRITANT Matrix Scientific
Notes J. Am. Chem. Soc., 97, 952 (1975): very selective catalyst for the isomerisation of unsaturated ketones Apollo Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.