UCSF

ZINC00388425

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 10 Yes

Popular Name: Methyl 2-cyclopentanonecarboxylate Methyl 2-cyclopentanonecarboxylate

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CAS Numbers: 10472-24-9 , N/A , [10472-24-9]

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) 0.62 3.89 -7.05 0 3 0 43 142.154 2 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 102 - 104 (p=11 torr) Acros Organics
Boiling_Point 105-107?/20mm Alfa-Aesar
Boiling_Point 105-107°/20mm Alfa-Aesar
BP 105°/19mm Oakwood Chemical
BP 111 / 27 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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