UCSF

ZINC02573374

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 No

Popular Name: 4-Butoxy-3-methoxybenzaldehyde 4-Butoxy-3-methoxybenzaldehyde

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CAS Numbers: 51301-87-2 , [51301-87-2]

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) 2.81 2.18 -8.5 0 3 0 35 208.257 6 ↓

Vendor Notes

Note Type Comments Provided By
BP 140-141°/2 Torr Matrix Scientific
BP 140-141°/2mm Oakwood Chemical
MP 29-30° Matrix Scientific
MP 30-31° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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