UCSF

ZINC02530108

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 18 Yes

Popular Name: Ethyl 2-cyano-2-(3,4-dimethoxyphenyl)acetate Ethyl 2-cyano-2-(3,4-dimethoxyph…

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CAS Numbers: 36848-69-8 , [36848-69-8]

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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) 1.41 6.22 -11.25 0 5 0 69 249.266 6 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

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

No pre-computed analogs available. Try a structural similarity search.