UCSF

ZINC01711262

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 15 No

Popular Name: Ethyl 3-oxo-4-phenylbutanoate Ethyl 3-oxo-4-phenylbutanoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5413-05-8 , 64127-44-2 , 718-08-1 , [718-08-1]

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) 1.49 8.47 -14.05 0 3 0 43 206.241 6 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks
Purity 90% Fluorochem
purity 95 Enamine Building Blocks

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