Homovanillic Acid-d3

Base Information

• Chemical Name: Homovanillic Acid-d3
• CAS No.: 74495-71-9
• Molecular Formula: C9H7D3O4
• Molecular Weight: 185.191785334
• DSSTox Substance ID: DTXSID70492993
• Wikidata: Q82339314
• Mol file: 74495-71-9.mol

Synonyms:Homovanillic Acid-d3;74495-71-9;2-[4-hydroxy-3-(trideuteriomethoxy)phenyl]acetic acid;NSC 16682-d3;4-Hydroxy-3-(methoxy-d3)benzeneacetic Acid;HY-N0384S;DTXSID70492993;AKOS030243315;1ST40053D3;CS-0203515;2-[4-hydroxy-3-(?H?)methoxyphenyl]acetic acid;{4-Hydroxy-3-[(~2~H_3_)methyloxy]phenyl}acetic acid

Chemical Property of Homovanillic Acid-d3

Chemical Property:

• Melting Point: 135-137°C
• PSA: 66.76000
• LogP: 1.02790
• Storage Temp.: Refrigerator, Under Inert Atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 185.07673903
• Heavy Atom Count: 13
• Complexity: 181

Purity/Quality:

97% ^*data from raw suppliers

HomovanillicAcid-d3 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)CC(=O)O)O
• Isomeric SMILES: [2H]C([2H])([2H])OC1=C(C=CC(=C1)CC(=O)O)O
• Uses: Labelled analog of Homovanillic Acid (H669500). Homovanillic Acid is a neuroendocrine tumor marker and a Dihydroxyphenylacetic Acid (DOPAC) metabolite. A labeled metabolite of Dihydroxyphenylacetic Acid (DOPAC) by catechol O-methyltransferase. A neuroendocrine tumor marker. A Labelled metabolite of Dihydroxyphenylacetic Acid (DOPAC) by catechol O-methyltransferase.