UCSF

ZINC00388460

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 11 Yes

Popular Name: Methyl 2-oxocyclohexanecarboxylate Methyl 2-oxocyclohexanecarboxylate

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CAS Numbers: 41302-34-5 , Methyl 2-oxocyclohexanecarboxylate

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) 1.13 5.17 -8.97 0 3 0 43 156.181 2 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 50 (p=0.2 torr) Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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