UCSF

ZINC04428785

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 10 Yes

Popular Name: 1-Cyclohexenylacetic Acid 1-Cyclohexenylacetic Acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 18294-87-6 , [18294-87-6]

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) 1.94 5.15 -46.89 0 2 -1 40 139.174 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 140-142?/25mm Alfa-Aesar
Boiling_Point 140-142°/25mm Alfa-Aesar
Melting_Point 33? Alfa-Aesar
Melting_Point 33° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

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