UCSF

ZINC01747861

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 21 Yes

Popular Name: 3,4,5-Triacetoxy-benzoic acid 3,4,5-Triacetoxy-benzoic acid

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CAS Numbers: 6635-24-1 , [6635-24-1]

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) -0.04 5.67 -64.52 0 8 -1 119 295.223 7 ↓

Vendor Notes

Note Type Comments Provided By
MP 163 - 165 Enamine Building Blocks
MP 163...165 Enamine Building Blocks
MP 164 - 166 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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