UCSF

ZINC03132339

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 17 Yes

Popular Name: methyl 5-(4-methoxyphenyl)-5-oxopentanoate methyl 5-(4-methoxyphenyl)-5-oxo…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1847-68-3 , [1847-68-3]

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) 2.12 2.84 -15.1 0 4 0 52 236.267 7 ↓

Vendor Notes

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

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