UCSF

ZINC01045350

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 16 Yes

Popular Name: Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate Dimethyl bicyclo[2.2.2]octane-1,…

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CAS Numbers: 1459-96-7 , [1459-96-7]

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) 1.52 6.82 -7.32 0 4 0 53 226.272 4 ↓

Vendor Notes

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

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