UCSF

ZINC06667013

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2006 15 No

Popular Name: 3,4-dimethoxy-5-nitrobenzaldehyde 3,4-dimethoxy-5-nitrobenzaldehyde

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CAS Numbers: 22027-96-9 , [22027-96-9]

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) 1.46 4.7 -10.33 0 6 0 81 211.173 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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