UCSF

ZINC00407065

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 13 Yes

Popular Name: ethyl mandelate ethyl mandelate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 10606-72-1 , 13704-09-1 , 4358-88-7 , 4358-88-7 ; 774-40-3 , 774-40-3 , [774-40-3]

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) 1.36 4.55 -5.98 1 3 0 47 180.203 4 ↓

Vendor Notes

Note Type Comments Provided By
BP 133 / 13 TCI
Boiling_Point 253-255? Alfa-Aesar
Boiling_Point 253-255° Alfa-Aesar
Purity 97% Fluorochem
Patent Database Links US2006084154 ChEBI
Purity ¡Ý99% APIChem

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