UCSF

ZINC00035840

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 No

Popular Name: 4-Isobutoxy-3-methoxybenzaldehyde 4-Isobutoxy-3-methoxybenzaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 66488-79-7 , [66488-79-7]

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) 2.50 2.39 -8.46 0 3 0 35 208.257 5 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0576974A1; US5399563 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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