UCSF

ZINC01719268

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 16 Yes

Popular Name: (1r,4r)-diethyl cyclohexane-1,4-dicarboxylate (1r,4r)-diethyl cyclohexane-1,4-…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 19145-96-1 , 72903-27-6 , [19145-96-1] , [72903-27-6]

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) 2.47 7.93 -7.16 0 4 0 53 228.288 6 ↓

Vendor Notes

Note Type Comments Provided By
MP 45 TCI
Purity 95% Fluorochem
PUBCHEM_PATENT_ID US4202816 IBM Patent Data

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