UCSF

ZINC02003954

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 16 No

Popular Name: Diethyl 2-acetylglutarate Diethyl 2-acetylglutarate

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CAS Number: 1501-06-0

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) 0.94 6.67 -15.84 0 5 0 70 230.26 9 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 181-183?/50mm Alfa-Aesar
Boiling_Point 181-183°/50mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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

No pre-computed analogs available. Try a structural similarity search.