UCSF

ZINC08294938

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 7th, 2006 10 No

Popular Name: (4-Pyridyl)acetone (4-Pyridyl)acetone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 6304-16-1 , 70199-62-1 , [6304-16-1]

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) 0.37 4 -8.94 0 2 0 30 135.166 2 ↓
Lo Low (pH 4.5-6) 0.37 4.28 -33.25 1 2 1 31 136.174 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 13? Alfa-Aesar
Melting_Point 13° Alfa-Aesar
Boiling_Point 143?/20mm Alfa-Aesar
Boiling_Point 143°/20mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 97% APIChem
Purity 99% Fluorochem
Warnings IRRITANT Matrix Scientific

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