UCSF

ZINC02015888

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 15 No

Popular Name: Diethyl 2-acetylsuccinate Diethyl 2-acetylsuccinate

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CAS Numbers: 1115-30-6 , [1115-30-6]

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) 0.67 5.97 -7.82 0 5 0 70 216.233 8 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 8 Acros Organics
Melting_Point 8? Alfa-Aesar
Melting_Point 8° Alfa-Aesar
BP [°C] 180 - 183 (p=50 torr) Acros Organics
Boiling_Point 180-183?/50mm Alfa-Aesar
Boiling_Point 180-183°/50mm Alfa-Aesar
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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