UCSF

ZINC00056433

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 Yes

Popular Name: benzene-1,2,4-triyl triacetate benzene-1,2,4-triyl triacetate

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CAS Numbers: 613-03-6 , [613-03-6]

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) 0.13 6.01 -18.02 0 6 0 78 252.222 6 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
M.P 98-100 °C Indofine
Melting_Point 98-100? Alfa-Aesar
Melting_Point 98-100° Alfa-Aesar

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