UCSF

ZINC01460010

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 14 Yes

Popular Name: 2-methyl-2-(2-methylphenoxy)propanoic acid 2-methyl-2-(2-methylphenoxy)prop…

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CAS Numbers: 53498-62-7 , [53498-62-7]

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) 2.45 1.65 -48.74 0 3 -1 49 193.222 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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