UCSF

ZINC02584405

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 No

Popular Name: Ethyl 4,4-dimethyl-3-oxopentanoate Ethyl 4,4-dimethyl-3-oxopentanoate

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CAS Numbers: 17094-34-7 , [17094-34-7]

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) 1.39 6.53 -11.42 0 3 0 43 172.224 5 ↓

Vendor Notes

Note Type Comments Provided By
BP 88 / 8.3 TCI
Boiling_Point 88-90?/10mm Alfa-Aesar
Boiling_Point 88-90°/10mm Alfa-Aesar
Purity 95% Fluorochem
Purity 99% APIChem

Activity (Go SEA)

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