UCSF

ZINC02029775

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 13 No

Popular Name: 4-n-Pentylbenzaldehyde 4-n-Pentylbenzaldehyde

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CAS Number: 6853-57-2

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) 4.10 2.44 -6.06 0 1 0 17 176.259 5 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 142-144?/2mm Alfa-Aesar
Boiling_Point 142-144°/2mm Alfa-Aesar
Purity 97% APIChem

Activity (Go SEA)

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