UCSF

ZINC02389939

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 10 No

Popular Name: Methyl 4-methyl-3-oxopentanoate Methyl 4-methyl-3-oxopentanoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 38923-57-8 , 42558-54-3 , 875249-16-4 , [42558-54-3]

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) 0.43 5.2 -11.59 0 3 0 43 144.17 4 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 75? Alfa-Aesar
Melting_Point 75° Alfa-Aesar
Boiling_Point 192? Alfa-Aesar
Boiling_Point 192° Alfa-Aesar
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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