UCSF

ZINC01648185

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 No

Popular Name: Diethyl methylmalonate Diethyl methylmalonate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 609-08-5 , 8/5/609 , [609-08-5]

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) 1.54 5.87 -9.94 0 4 0 53 174.196 6 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 198 - 199 Acros Organics
Boiling_Point 198-199? Alfa-Aesar
Boiling_Point 198-199° Alfa-Aesar
BP 199 TCI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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