UCSF

ZINC01401891

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 16 Yes

Popular Name: Ethyl 5-phenylisoxazole-3-carboxylate Ethyl 5-phenylisoxazole-3-carbox…

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CAS Numbers: , 13599-24-1 , 7063-99-2 , [7063-99-2]

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) 2.79 3.14 -6.29 0 4 0 52 217.224 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 46 - 48 KeyOrganics
Purity 95% Fluorochem

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