UCSF

ZINC02387647

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 12 Yes

Popular Name: 1-(3-Ethoxyphenyl)ethanone 1-(3-Ethoxyphenyl)ethanone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 52600-91-6 , [52600-91-6]

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) 2.25 1.72 -9.12 0 2 0 26 164.204 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks
Purity 90% Fluorochem
purity 95 Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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