UCSF

ZINC01668680

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 11 Yes

Popular Name: 5-Hydroxy-2-methylbenzoic acid 5-Hydroxy-2-methylbenzoic acid

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CAS Numbers: 578-22-3 , [578-22-3]

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) 1.41 1.79 -51.36 1 3 -1 60 151.141 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 182-187? Alfa-Aesar
MP 182-187° Oakwood Chemical
Purity 97% Fluorochem
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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

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