UCSF

ZINC04787060

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2006 15 Yes

Popular Name: 2,4,6-Trimethoxybenzoic acid 2,4,6-Trimethoxybenzoic acid

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CAS Numbers: 570-02-5 , [570-02-5]

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) 1.54 2.17 -64.01 0 5 -1 68 211.193 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Melting_Point ca 158? dec. Alfa-Aesar
Melting_Point ca 158° dec. Alfa-Aesar

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