Nemotinic acid

Base Information

• Chemical Name: Nemotinic acid
• CAS No.: 539-98-0
• Molecular Formula: C11H10O3
• Molecular Weight: 190.1953
• DSSTox Substance ID: DTXSID80901389
• Nikkaji Number: J13.673E
• Metabolomics Workbench ID: 77593
• Mol file: 539-98-0.mol

Synonyms:Nemotinic acid;539-98-0;BRN 1707406;4-hydroxyundeca-5,6-diene-8,10-diynoic acid;5,6-Undecadiene-8,10-diynoic acid, 4-hydroxy-;4-03-00-01048 (Beilstein Handbook Reference);NoName_500;DTXSID80901389;CHEBI:168159;LMFA01031036;LS-96055

Chemical Property of Nemotinic acid

Chemical Property:

• Vapor Pressure: 5.82E-09mmHg at 25°C
• Boiling Point: 423.9°Cat760mmHg
• Flash Point: 224.3°C
• Density: 1.174g/cm³
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 190.062994177
• Heavy Atom Count: 14
• Complexity: 363

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC#CC=C=CC(CCC(=O)O)O

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