1,12-Dodecanedioic-d20 Acid

Base Information

• Chemical Name: 1,12-Dodecanedioic-d20 Acid
• CAS No.: 89613-32-1
• Molecular Formula: C12H2D20O4
• Molecular Weight: 250.42
• European Community (EC) Number: 693-127-1
• DSSTox Substance ID: DTXSID60583748
• Wikidata: Q82475352
• Mol file: 89613-32-1.mol

Synonyms:89613-32-1;1,12-Dodecanedioic-d20 Acid;Dodecanedioic acid-d20;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-Icosadeuteriododecanedioic acid;Dodecanedioic-d20 acid;perdeuterododecanedioic acid;(~2~H_20_)Dodecanedioic acid;DTXSID60583748;HY-W012241S;Dodecanedioic-d20 acid, 98 atom % D;CS-0568216;D98711

Chemical Property of 1,12-Dodecanedioic-d20 Acid

Chemical Property:

• Melting Point: 126-128 °C(lit.)
• PSA: 74.60000
• LogP: 3.05660
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 250.27734410
• Heavy Atom Count: 16
• Complexity: 179

Purity/Quality:

99% ^*data from raw suppliers

Dodecanedioic-d20 Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCCCC(=O)O)CCCCC(=O)O
• Isomeric SMILES: [2H]C([2H])(C(=O)O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O
• Uses: Dodecanedioic-d20 Acid is labelled Dodecanedioic Acid (D494530) which induces mutation of dodecanedioic acid producing Candida tropicalis.