UCSF

ZINC02380184

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 16 No

Popular Name: 3-Methoxy-4-(pentyloxy)benzaldehyde 3-Methoxy-4-(pentyloxy)benzaldehyde

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CAS Numbers: , 79714-25-3 , 93206-92-9 , [79714-25-3]

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) 3.32 2.3 -8.44 0 3 0 35 222.284 7 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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