UCSF

ZINC02548145

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 8 Yes

Popular Name: 4-Methyl-3-oxopentanenitrile 4-Methyl-3-oxopentanenitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 29509-06-6 , [118431-88-2] , [29509-06-6]

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) 0.06 3.92 -12.9 0 2 0 41 111.144 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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