UCSF

ZINC01648296

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 Yes

Popular Name: 6-Ethoxy-6-oxohexanoic acid 6-Ethoxy-6-oxohexanoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 626-86-8 , [626-86-8]

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) 1.04 5.21 -47.2 0 4 -1 66 173.188 7 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 179-181? dec. Alfa-Aesar
Boiling_Point 179-181° dec. Alfa-Aesar
Melting_Point 28-29? Alfa-Aesar
Melting_Point 28-29° Alfa-Aesar
Purity 98% Fluorochem

Activity (Go SEA)

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