UCSF

ZINC00153283

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

Popular Name: ethyl 2-(3-methoxyphenyl)acetate ethyl 2-(3-methoxyphenyl)acetate

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CAS Number: 35553-92-5

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) 2.39 2.53 -7.95 0 3 0 35 194.23 5 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 109-110?/1mm Alfa-Aesar
Boiling_Point 109-110°/1mm Alfa-Aesar
BP [°C] 82 - 84 (p=0.2 torr) Acros Organics
Purity 96% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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