UCSF

ZINC00170395

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 Yes

Popular Name: methyl 4'-cyano[1,1'-biphenyl]-4-carboxylate methyl 4'-cyano[1,1'-biphenyl]-4…

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CAS Numbers: 89900-95-8 , [89900-95-8]

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) 3.66 4.24 -10.15 0 3 0 50 237.258 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 130 - 133 KeyOrganics
MP 130-133° Matrix Scientific
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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