UCSF

ZINC01680828

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 11 Yes

Popular Name: Ethyl cyclohexanecarboxylate Ethyl cyclohexanecarboxylate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3289-28-9 , 93-89-0 , [3289-28-9]

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) 2.84 6.38 -4.13 0 2 0 26 156.225 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 194-196? Alfa-Aesar
Boiling_Point 194-196° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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