UCSF

ZINC01596554

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 13 No

Popular Name: ethyl 3-oxo-3-(thiophen-2-yl)propanoate ethyl 3-oxo-3-(thiophen-2-yl)pro…

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CAS Numbers: 13669-10-8 , [13669-10-8]

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) 1.56 6.79 -11.91 0 3 0 43 198.243 5 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% Fluorochem

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