UCSF

ZINC01591841

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 13 No

Popular Name: 4-NITROCINNAMALDEHYDE 4-NITROCINNAMALDEHYDE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1734-79-8 , 49678-08-2 , [1734-79-8]

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) 2.44 2.46 -12.88 0 4 0 63 177.159 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 138-142? Alfa-Aesar
Melting_Point 138-142° Alfa-Aesar
M.P 140-143 °C Indofine
MP 141 TCI
Purity 95% Fluorochem

Activity (Go SEA)

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