UCSF

ZINC00152538

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Substance Information

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

Popular Name: ethyl 3-(4-hydroxyphenyl)propanoate ethyl 3-(4-hydroxyphenyl)propanoate

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CAS Numbers: 105184-38-1 , 23795-02-0 , [23795-02-0]

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) 2.08 0.62 -6.7 1 3 0 46 194.23 5 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 40 - 42 Acros Organics
Purity 95% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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