But-1-ene-1,2,4-tricarboxylic acid

Base Information

• Chemical Name: But-1-ene-1,2,4-tricarboxylic acid
• CAS No.: 7279-64-3
• Deprecated CAS: 13366-20-6
• Molecular Formula: C7H8O6
• Molecular Weight: 0
• UNII: BPE4V564XP
• DSSTox Substance ID: DTXSID201336349
• Metabolomics Workbench ID: 50945
• Nikkaji Number: J181.759K
• Wikidata: Q15410992
• Wikipedia: Homoaconitic_acid
• Mol file: 7279-64-3.mol

Synonyms:cis-Homoaconitate;cis-homoaconitic acid;but-1-ene-1,2,4-tricarboxylic acid;HOMOACONITIC ACID;Homoaconitic acid, cis-;BPE4V564XP;7279-64-3;UNII-BPE4V564XP;(1Z)-1-Butene-1,2,4-tricarboxylic acid;(1Z)-but-1-ene-1,2,4-tricarboxylic acid;1-Butene-1,2,4-tricarboxylic acid, (Z)-;1-Butene-1,2,4-tricarboxylic acid, (1Z)-;(Z)-1,2,4-But-1-enetricarboxylic acid;Homo-cis-aconitate;(Z)-but-1-ene-1,2,4-tricarboxylate;(Z)-but-1-ene-1,2,4-tricarboxylic acid;C04002;SCHEMBL860028;CHEBI:17516;DTXSID201336349;LMFA01030999;Q15410992

Chemical Property of But-1-ene-1,2,4-tricarboxylic acid

Chemical Property:

• Melting Point: 119 °C
• PSA: 111.90000
• LogP: -0.05320
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 188.03208797
• Heavy Atom Count: 13
• Complexity: 264

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CC(=O)O)C(=CC(=O)O)C(=O)O
• Isomeric SMILES: C(CC(=O)O)/C(=C/C(=O)O)/C(=O)O

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