UCSF

ZINC04242335

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 17 No

Popular Name: 2-(4-Chlorobenzyl)acetoacetic acid ethyl ester 2-(4-Chlorobenzyl)acetoacetic ac…

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CAS Numbers: 36600-72-3 , [36600-72-3]

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) 2.95 2.89 -8.31 0 3 0 43 254.713 6 ↓

Vendor Notes

Note Type Comments Provided By
BP 180°/20mm Fluorochem
BP 200°/15mm Oakwood Chemical
Purity 96% Fluorochem

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