UCSF

ZINC01081421

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 12 Yes

Popular Name: Ethyl 2-hydroxycyclohexanecarboxylate Ethyl 2-hydroxycyclohexanecarbox…

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CAS Numbers: 1655-07-8 , 3444-72-2 , 6125-55-9 , 6149-52-6 , 61586-78-5 , [3444-72-2]

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) 1.69 3.91 -6.47 1 3 0 47 172.224 3 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 134 - 135 (p=39 torr) Acros Organics
Purity 97% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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