UCSF

ZINC01694413

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 16 No

Popular Name: Diethyl 1,1-cyclohexanedicarboxylate Diethyl 1,1-cyclohexanedicarboxy…

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CAS Numbers: 1139-13-5 , [1139-13-5]

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) 2.78 3.27 -6.06 0 4 0 52 228.288 6 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 106-108?/1mm Alfa-Aesar
Boiling_Point 106-108°/1mm Alfa-Aesar
BP 137 / 16 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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