UCSF

ZINC04975531

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 13 Yes

Popular Name: Ethyl 2-oxo-cycloheptanecarboxylate Ethyl 2-oxo-cycloheptanecarboxylate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 314725-17-2 , 774-05-0 , [774-05-0]

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) 2.01 2 -9.23 0 3 0 43 184.235 3 ↓

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% )