UCSF

ZINC00160798

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 11 Yes

Popular Name: Ethyl 2-oxocyclopentanecarboxylate Ethyl 2-oxocyclopentanecarboxylate

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CAS Numbers: 10/9/611 , 611-10-9 , Ethyl Cyclopentanone-2-carboxylate , N/A , [611-10-9]

Download: MOL2 SDF SMILES Flexibase

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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) 1.00 4.81 -6.95 0 3 0 43 156.181 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 123 - 125 Enamine Building Blocks
MP 123...125 Enamine Building Blocks
BP 132 / 40 TCI
BP [°C] 224 - 228 Acros Organics
Boiling_Point 225-228? Alfa-Aesar
Boiling_Point 225-228° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 97% Matrix Scientific
Purity 98% Fluorochem
Purity >=98.0% APIChem
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% )