UCSF

ZINC00131517

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 18 Yes

Popular Name: 3,4,5-Triethoxybenzoic acid 3,4,5-Triethoxybenzoic acid

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CAS Numbers: 6970-19-0 , [6970-19-0]

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) 2.61 1.55 -47.42 0 5 -1 67 253.274 7 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 109 - 112 Acros Organics
M.P 109-112 °C Indofine
Melting_Point 110-113? Alfa-Aesar
Melting_Point 110-113° Alfa-Aesar
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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