UCSF

ZINC00391412

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 Yes

Popular Name: 2,6-DIHYDROXY-4-METHYLBENZOIC ACID 2,6-DIHYDROXY-4-METHYLBENZOIC ACID

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CAS Numbers: 480-67-1 , [480-67-1]

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) 1.79 -0.78 -57.72 2 4 -1 81 167.14 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 165 - 166 KeyOrganics
MP 165-166° Matrix Scientific
MP 175.5° Fluorochem
Purity 99% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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