UCSF

ZINC01589924

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 15 No

Popular Name: 3-(4-tert-Butylphenyl)isobutyraldehyde 3-(4-tert-Butylphenyl)isobutyral…

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CAS Numbers: 80-54-6 , [80-54-6]

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) 4.39 8.55 -5.97 0 1 0 17 204.313 4 ↓

Vendor Notes

Note Type Comments Provided By
BP 150 / 10 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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