UCSF

ZINC02564717

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 Yes

Popular Name: 4-(tert-Butoxy)-4-oxobutanoic acid 4-(tert-Butoxy)-4-oxobutanoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 15026-17-2 , [15026-17-2]

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) 0.84 4.76 -44.42 0 4 -1 66 173.188 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 51 - 54 Enamine Building Blocks
MP 51-54° Oakwood Chemical
MP 51...54 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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