UCSF

ZINC04291216

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 12 Yes

Popular Name: Methyl 2-(m-tolyl)acetate Methyl 2-(m-tolyl)acetate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 53088-69-0 , 62451-84-7 , [53088-69-0]

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) 2.40 2.87 -6.51 0 2 0 26 164.204 3 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 117 (p=13 torr) Acros Organics
Boiling_Point 211? Alfa-Aesar
Boiling_Point 211° Alfa-Aesar
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% )