UCSF

ZINC01586629

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 13 Yes

Popular Name: Methyl 4-ethoxybenzoate Methyl 4-ethoxybenzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 23676-08-6 , [23676-08-6]

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) 2.54 2.39 -6.2 0 3 0 35 180.203 4 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 160?/20mm Alfa-Aesar
Boiling_Point 160°/20mm Alfa-Aesar
Melting_Point 35-37? Alfa-Aesar
Melting_Point 35-37° Alfa-Aesar
M.P 36-38°C Indofine

Activity (Go SEA)

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