UCSF

ZINC02384874

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 15 No

Popular Name: Ethyl 2-oxo-4-phenylbutyrate Ethyl 2-oxo-4-phenylbutyrate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 64920-29-2 , [64920-29-2]

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) 2.04 2.96 -5.19 0 3 0 43 206.241 6 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 123 - 141 (p=3 torr) Acros Organics
Boiling_Point 131-133?/2mm Alfa-Aesar
Boiling_Point 131-133°/2mm Alfa-Aesar
BP 136 / 2 TCI
MP 198 - 201 Enamine Building Blocks
MP 198...201 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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