UCSF

ZINC04992769

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2006 14 No

Popular Name: 5-(Tert-butyl)-2-methoxybenzenecarbaldehyde 5-(Tert-butyl)-2-methoxybenzenec…

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CAS Numbers: 85943-26-6 , [85943-26-6]

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) 3.42 3.51 -8.14 0 2 0 26 192.258 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 128°/3.5 Torr Matrix Scientific
MP 32° Matrix Scientific
Warnings IRRITANT Matrix Scientific

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