Dodec-2-ynedioic acid

Base Information

• Chemical Name: Dodec-2-ynedioic acid
• CAS No.: 821-37-4
• Molecular Formula: C12H18O4
• Molecular Weight: 226.273
• DSSTox Substance ID: DTXSID90534440
• Wikidata: Q82408264
• Mol file: 821-37-4.mol

Synonyms:DODEC-2-YNEDIOIC ACID;821-37-4;DTXSID90534440

Chemical Property of Dodec-2-ynedioic acid

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 226.12050905
• Heavy Atom Count: 16
• Complexity: 282

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCCC(=O)O)CCCC#CC(=O)O