UCSF

ZINC04242273

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Substance Information

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

Popular Name: 3-(4-tert-Butylphenyl)-3-oxo-propionic acidmethyl ester 3-(4-tert-Butylphenyl)-3-oxo-pro…

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CAS Numbers: 101498-88-8 , 200280-57-5

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) 2.99 4.17 -12.71 0 3 0 43 234.295 5 ↓

Vendor Notes

Note Type Comments Provided By
BP 118°/0.23mm Oakwood Chemical

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