UCSF

ZINC02575873

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Substance Information

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

Popular Name: 3-(3-Chloro-phenyl)-3-oxo-propionic acid methyl ester 3-(3-Chloro-phenyl)-3-oxo-propio…

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CAS Numbers: 632327-19-6 , [632327-19-6]

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) 1.94 7.24 -15 0 3 0 43 212.632 4 ↓

Vendor Notes

Note Type Comments Provided By
BP 106-107°/0.45mm Oakwood Chemical
Purity 95% Fluorochem

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