UCSF

ZINC00047425

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 No

Popular Name: 5-ACETOXYMETHYL-2-FURALDEHYDE 5-ACETOXYMETHYL-2-FURALDEHYDE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 10551-58-3 , [10551-58-3]

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) 1.27 4.66 -13.75 0 4 0 57 168.148 4 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 52 - 56 Acros Organics
Purity 95% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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

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