UCSF

ZINC01648200

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 18 No

Popular Name: Diethyl benzylmalonate Diethyl benzylmalonate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 607-81-8 , [607-81-8]

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) 2.96 3.61 -8.07 0 4 0 52 250.294 8 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 162-163?/10mm Alfa-Aesar
Boiling_Point 162-163°/10mm Alfa-Aesar
BP 300 TCI
MP 86 - 88 Enamine Building Blocks
MP 86...88 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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