UCSF

ZINC04253991

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 16 No

Popular Name: Ethyl 3-(4-cyanophenyl)-3-oxopropanoate Ethyl 3-(4-cyanophenyl)-3-oxopro…

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CAS Numbers: 49744-93-6 , [49744-93-6]

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) 1.42 8.04 -15.75 0 4 0 67 217.224 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 62-63° Oakwood Chemical
Purity 95% Fluorochem

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

No pre-computed analogs available. Try a structural similarity search.