UCSF

ZINC02572176

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 Yes

Popular Name: Ethyl 2-(3,5-dimethylphenyl)acetate Ethyl 2-(3,5-dimethylphenyl)acetate

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CAS Numbers: 105337-18-6 , [105337-18-6]

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) 3.18 3.16 -6.44 0 2 0 26 192.258 4 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 138-139?/15mm Alfa-Aesar
Boiling_Point 138-139°/15mm Alfa-Aesar
Purity 95% Fluorochem

Activity (Go SEA)

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