UCSF

ZINC00226821

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 No

Popular Name: 4-(pyridin-2-ylmethoxy)benzaldehyde 4-(pyridin-2-ylmethoxy)benzaldehyde

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CAS Numbers: 57748-41-1 , [57748-41-1]

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) 2.21 5.81 -9.25 0 3 0 39 213.236 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 7.200000000000000e+001 - 7.500000000000000e+001 KeyOrganics
melting_point 72 - 75 KeyOrganics
MP 88 - 90 Enamine Building Blocks
MP 88...90 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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