UCSF

ZINC00167686

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 No

Popular Name: 4-[(2-methylbenzyl)oxy]benzaldehyde 4-[(2-methylbenzyl)oxy]benzaldehyde

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CAS Numbers: 400825-69-6 , [400825-69-6]

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) 3.78 2.17 -9.08 0 2 0 26 226.275 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 7.200000000000000e+001 - 7.400000000000000e+001 KeyOrganics
melting_point 72 - 74 KeyOrganics
Warnings IRRITANT Matrix Scientific

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