UCSF

ZINC00389797

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 12 Yes

Popular Name: Methyl 3,5-dimethylbenzoate Methyl 3,5-dimethylbenzoate

Find On: PubMed — Wikipedia — Google

CAS Number: 25081-39-4

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) 2.93 2.98 -5.85 0 2 0 26 164.204 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 239-240? Alfa-Aesar
Boiling_Point 239-240° Alfa-Aesar
Melting_Point 31-33? Alfa-Aesar
Melting_Point 31-33° Alfa-Aesar
Purity 95% Fluorochem

Activity (Go SEA)

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