UCSF

ZINC01589885

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 13 Yes

Popular Name: [1,1'-Bi(cyclohexan)]-4-one [1,1'-Bi(cyclohexan)]-4-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 4894-75-1 , 92-68-2 , [92-68-2]

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) 3.09 7.56 -4.56 0 1 0 17 180.291 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 158-160?/12mm Alfa-Aesar
Boiling_Point 158-160°/12mm Alfa-Aesar
Melting_Point 78-82? Alfa-Aesar
Melting_Point 78-82° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0754668A3 IBM Patent Data

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