UCSF

ZINC00967263

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2004 10 Yes

Popular Name: 3,5-Dimethylanisole 3,5-Dimethylanisole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 874-63-5 , [874-63-5]

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) 2.82 1.87 -3.69 0 1 0 9 136.194 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 192-193? Alfa-Aesar
Boiling_Point 192-193° Alfa-Aesar
BP [°C] 193 Acros Organics
BP 194° Oakwood Chemical
Purity 95% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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