UCSF

ZINC02506138

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Substance Information

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

Popular Name: [5-(2-thienyl)-3-isoxazolyl]methanol [5-(2-thienyl)-3-isoxazolyl]meth…

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CAS Numbers: 194191-44-6 , 194491-44-6 , [194491-44-6]

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) 1.70 2.1 -6.68 1 3 0 46 181.216 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 62 - 64 Acros Organics
Purity 95% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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