UCSF

ZINC00388242

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 15 Yes

Popular Name: 2,4,5-Trimethoxybenzoic acid 2,4,5-Trimethoxybenzoic acid

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CAS Numbers: 490-64-2 , [490-64-2] , [573-11-5]

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) 1.56 3.42 -55.86 0 5 -1 68 211.193 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 143-145 °C(lit.) Indofine
Melting_Point 143-145? Alfa-Aesar
Melting_Point 143-145° Alfa-Aesar
MP 143.5-144.5o C Indofine
MP 144 TCI
MP 144 - 146 Enamine Building Blocks
MP 144...146 Enamine Building Blocks
BP 300 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 99% APIChem
Warnings IRRITANT Matrix Scientific

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