UCSF

ZINC04291235

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 13 No

Popular Name: 5-Phenylisoxazole-3-carbaldehyde 5-Phenylisoxazole-3-carbaldehyde

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CAS Numbers: 59985-82-9 , [59985-82-9]

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) 2.37 2.5 -5.87 0 3 0 43 173.171 2 ↓

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% )