UCSF

ZINC00056870

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 No

Popular Name: 4,5-Dimethoxy-2-nitrobenzyl alcohol 4,5-Dimethoxy-2-nitrobenzyl alcohol

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CAS Numbers: 1016-58-6 , [1016-58-6]

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) 0.81 1.7 -7.34 1 6 0 85 213.189 4 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 144-148? Alfa-Aesar
Melting_Point 144-148° Alfa-Aesar
MP 145-148° Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

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