UCSF

ZINC01672089

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 No

Popular Name: 4-Acetoxybenzaldehyde 4-Acetoxybenzaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 878-00-2 , [878-00-2]

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) 1.28 5.45 -10.62 0 3 0 43 164.16 3 ↓

Vendor Notes

Note Type Comments Provided By
M.P 152-153 °C17 mm Hg(lit.) Indofine
BP 152-153°/17mm Matrix Scientific
Boiling_Point 170-172?/35mm Alfa-Aesar
Boiling_Point 170-172°/35mm Alfa-Aesar
Purity 95% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

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