UCSF

ZINC06678458

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2006 16 No

Popular Name: 3-(pyridin-3-ylmethoxy)benzaldehyde 3-(pyridin-3-ylmethoxy)benzaldehyde

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CAS Number: 128133-56-2

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) 2.12 1 -9.19 0 3 0 39 213.236 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 74-75° Matrix Scientific
Warnings IRRITANT Matrix Scientific

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