3,4,5-Trimethoxybenzoic Acid-d9

Base Information

• Chemical Name: 3,4,5-Trimethoxybenzoic Acid-d9
• CAS No.: 84759-05-7
• Molecular Formula: C10H12O5
• Molecular Weight: 221.25
• DSSTox Substance ID: DTXSID30481383
• Wikidata: Q82316761
• Mol file: 84759-05-7.mol

Synonyms:3,4,5-Trimethoxybenzoic Acid-d9;84759-05-7;3,4,5-tris(trideuteriomethoxy)benzoic acid;3,4,5-Trimethoxybenzoic acid-d3;HY-Y0084S;DTXSID30481383;3,4,5-Trimethoxybenzoic Acid D9;AKOS030254547;3,4,5-Tri(methoxy-d3)-benzoic acid;CS-T-62420;CS-0436267;D98676

Chemical Property of 3,4,5-Trimethoxybenzoic Acid-d9

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 221.12496419
• Heavy Atom Count: 15
• Complexity: 204

Purity/Quality:

97% ^*data from raw suppliers

3,4,5-TrimethoxybenzoicAcid-d9 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)O
• Isomeric SMILES: [2H]C([2H])([2H])OC1=CC(=CC(=C1OC([2H])([2H])[2H])OC([2H])([2H])[2H])C(=O)O
• Uses: A labelled metabolite of Trimebutine (T795605).