UCSF

ZINC00405329

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 12 No

Popular Name: Methyl 3,4-dihydroxybenzoate Methyl 3,4-dihydroxybenzoate

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CAS Numbers: 2150-43-8 , [2150-43-8]

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) 1.14 0.24 -9.28 2 4 0 67 168.148 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 134-135° Oakwood Chemical
M.P 134-135°C Indofine
Melting_Point 134-138? Alfa-Aesar
Melting_Point 134-138° Alfa-Aesar
MP 136 TCI
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.