UCSF

ZINC20216188

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 13 No

Popular Name: Methyl 3-oxo-3-(pyridin-4-yl)propanoate Methyl 3-oxo-3-(pyridin-4-yl)pro…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 541503-81-5 , 829-45-8 , [829-45-8]

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) 0.00 4.99 -15.07 0 4 0 56 179.175 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 70 - 72 Enamine Building Blocks
MP 70...72 Enamine Building Blocks
MP 72 - 74 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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