UCSF

ZINC00368526

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2005 12 Yes

Popular Name: 2,4,5-Trimethylbenzoic acid 2,4,5-Trimethylbenzoic acid

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CAS Numbers: 528-90-5 , [528-90-5]

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) 2.71 1.58 -52.51 0 2 -1 40 163.196 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 150° Matrix Scientific
MP 151 TCI
Purity 95% Fluorochem
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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