UCSF

ZINC00132847

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 15 Yes

Popular Name: 4-(4-ethylphenyl)-4-oxobutanoic acid 4-(4-ethylphenyl)-4-oxobutanoic …

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CAS Numbers: 49594-75-4 , [49594-75-4]

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) 2.16 1.66 -47.18 0 3 -1 57 205.233 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 103-106° Oakwood Chemical
Melting_Point 92-94? Alfa-Aesar
Melting_Point 92-94° Alfa-Aesar
Purity 95% Fluorochem

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