UCSF

ZINC12405046

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2008 10 Yes

Popular Name: Methyl cyclohexanecarboxylate Methyl cyclohexanecarboxylate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 4630-82-4 , 93-58-3 , [4630-82-4]

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) 2.46 5.46 -4.32 0 2 0 26 142.198 2 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 183 Acros Organics
BP 183° Fluorochem
BP 65-66°/12mm Matrix Scientific
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
H phrase H226: Flammable liquid and vapor Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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