UCSF

ZINC01690088

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 14 Yes

Popular Name: 9-methoxy-9-oxononanoic acid 9-methoxy-9-oxononanoic acid

Find On: PubMed — Wikipedia — Google

CAS Number: 2104-19-0

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) 2.18 2.34 -50.43 0 4 -1 66 201.242 9 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 146-147?/1mm Alfa-Aesar
Boiling_Point 146-147°/1mm Alfa-Aesar
BP 160 / 3 TCI
Melting_Point 22-24? Alfa-Aesar
Melting_Point 22-24° Alfa-Aesar

Activity (Go SEA)

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