Butanedial, methyl-

Base Information

• Chemical Name: Butanedial, methyl-
• CAS No.: 77713-01-0
• Molecular Formula: C₅H₈O₂
• Molecular Weight: 100.117
• DSSTox Substance ID: DTXSID50451129

Synonyms:Butanedial, methyl-;77713-01-0;SCHEMBL2153981;DTXSID50451129

Chemical Property of Butanedial, methyl-

Chemical Property:

• Boiling Point: 139-140 °C(Press: 12.5 Torr)
• PSA: 34.14000
• Density: 0.943±0.06 g/cm3(Predicted)
• LogP: 0.41040
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 100.052429494
• Heavy Atom Count: 7
• Complexity: 68.5

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC(CC=O)C=O

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