UCSF

ZINC02146872

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 12 No

Popular Name: 3-Acetoxybenzaldehyde 3-Acetoxybenzaldehyde

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CAS Numbers: 34231-78-2 , [34231-78-2]

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) 1.25 5.45 -13.88 0 3 0 43 164.16 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 138/20mm Matrix Scientific
Boiling_Point 138?/20mm Alfa-Aesar
Boiling_Point 138°/20mm Alfa-Aesar
M.P 138°C 20mm Indofine
BP 140°/16mm Oakwood Chemical
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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