UCSF

ZINC01598332

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 14 Yes

Popular Name: Ethyl 4-ethoxybenzoate Ethyl 4-ethoxybenzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 23676-09-7 , [23676-09-7]

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) 2.92 2.36 -5.93 0 3 0 35 194.23 5 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 145-150?/13mm Alfa-Aesar
Boiling_Point 145-150°/13mm Alfa-Aesar
BP 275 TCI
Purity 97% Fluorochem
Purity 99%min APIChem
Melting_Point 9? Alfa-Aesar
Melting_Point 9° Alfa-Aesar

Activity (Go SEA)

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