2,4-Dioxo-heptanoic acid methyl ester

Base Information

• Chemical Name: 2,4-Dioxo-heptanoic acid methyl ester
• CAS No.: 20577-63-3
• Molecular Formula: C8H12O4
• Molecular Weight: 172.181
• DSSTox Substance ID: DTXSID70460814
• Wikidata: Q82284967

Synonyms:Methyl 2,4-dioxoheptanoate;2,4-Dioxo-heptanoic acid methyl ester;20577-63-3;Methyl2,4-dioxoheptanoate;SCHEMBL4741014;DTXSID70460814;XVIBAYHPFOFOPV-UHFFFAOYSA-N;AKOS017530187;EN300-91980

Chemical Property of 2,4-Dioxo-heptanoic acid methyl ester

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 172.07355886
• Heavy Atom Count: 12
• Complexity: 195

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)CC(=O)C(=O)OC

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