2-(7a-Methyl-1,5-dioxo-2,3,5,6,7,7a-hexahydro-1H-inden-4-yl)propanoic acid

Base Information

• Chemical Name: 2-(7a-Methyl-1,5-dioxo-2,3,5,6,7,7a-hexahydro-1H-inden-4-yl)propanoic acid
• CAS No.: 21932-65-0
• Molecular Formula: C13H16O4
• Molecular Weight: 236.26
• DSSTox Substance ID: DTXSID30944529

Synonyms:DTXSID30944529;2-(7a-Methyl-1,5-dioxo-2,3,5,6,7,7a-hexahydro-1H-inden-4-yl)propanoic acid;21932-65-0

Chemical Property of 2-(7a-Methyl-1,5-dioxo-2,3,5,6,7,7a-hexahydro-1H-inden-4-yl)propanoic acid

Chemical Property:

• Vapor Pressure: 7.3E-09mmHg at 25°C
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 236.10485899
• Heavy Atom Count: 17
• Complexity: 446

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: CC(C1=C2CCC(=O)C2(CCC1=O)C)C(=O)O

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