UCSF

ZINC02750639

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 13 Yes

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

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CAS Numbers: 114590-73-7 , [114590-73-7]

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) 2.61 1.96 -9.39 0 2 0 26 178.231 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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