UCSF

ZINC01577145

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 9 No

Popular Name: 3-(2-Furyl)acrolein 3-(2-Furyl)acrolein

Find On: PubMed — Wikipedia — Google

CAS Numbers: 39511-08-5 , 623-30-3 , [39511-08-5] , [623-30-3]

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) 1.56 3.73 -10.25 0 2 0 30 122.123 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 100-102°/12mm Oakwood Chemical
BP 143 / 37 TCI
MP 48 - 50 Enamine Building Blocks
MP 48...50 Enamine Building Blocks
Melting_Point 49-52? Alfa-Aesar
Melting_Point 49-52° Alfa-Aesar
MP 49-55° Oakwood Chemical
MP 54 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Boiling_Point 95?/5mm Alfa-Aesar
Boiling_Point 95°/5mm Alfa-Aesar

Activity (Go SEA)

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