UCSF

ZINC01695465

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 14 No

Popular Name: 2-(3-Methylbutoxy)benzaldehyde 2-(3-Methylbutoxy)benzaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 81995-28-0 , [81995-28-0] , [81995-29-1]

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) 3.39 2.87 -8.88 0 2 0 26 192.258 5 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks
Purity 90% Fluorochem
BP 94°/0.1 Torr Matrix Scientific
purity 95 Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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