UCSF

ZINC00388061

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 11 Yes

Popular Name: Methyl phenylacetate Methyl phenylacetate

Find On: PubMed — Wikipedia — Google

CAS Number: 101-41-7

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.98 5.93 -6.42 0 2 0 26 150.177 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 215 TCI
BP [°C] 218 - 220 Acros Organics
Boiling_Point 218-220? Alfa-Aesar
Boiling_Point 218-220° Alfa-Aesar
Purity 99% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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