UCSF

ZINC00391975

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 12 No

Popular Name: 2,3,4-Trihydroxybenzoic acid 2,3,4-Trihydroxybenzoic acid

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CAS Numbers: 610-02-6 , [610-02-6]

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) 0.90 -2.28 -51.13 3 5 -1 101 169.112 1 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 196 - 201 Acros Organics
Purity 95% Fluorochem
Purity 97% APIChem
Melting_Point ca 210? dec. Alfa-Aesar
Melting_Point ca 210° dec. Alfa-Aesar
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with wate Acros Organics
M.P ~205 °C Indofine

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