UCSF

ZINC01695179

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 13 No

Popular Name: 4-Isobutoxybenzaldehyde 4-Isobutoxybenzaldehyde

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CAS Number: 18962-07-7

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) 2.91 2.06 -6.69 0 2 0 26 178.231 4 ↓

Vendor Notes

Note Type Comments Provided By
BP 74°/0.08mm Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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