UCSF

ZINC02574181

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 No

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

Find On: PubMed — Wikipedia — Google

CAS Numbers: 37779-49-0 , [37779-49-0]

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) 1.11 7.55 -14.3 0 3 0 43 192.214 5 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
BP 99°/0.8mm Oakwood Chemical

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