2-Methyl-4-oxobutanoic acid

Base Information

• Chemical Name: 2-Methyl-4-oxobutanoic acid
• CAS No.: 35643-98-2
• Molecular Formula: C5H8O3
• Molecular Weight: 116.117
• DSSTox Substance ID: DTXSID80595409
• Mol file: 35643-98-2.mol

Synonyms:2-Methyl-4-oxobutanoic acid;35643-98-2;(2R)-2-methyl-4-oxobutanoic acid;2-methylsuccinaldehydic;SCHEMBL1302432;DTXSID80595409;AKOS006381277

Chemical Property of 2-Methyl-4-oxobutanoic acid

Chemical Property:

• PSA: 54.37000
• LogP: 0.29610
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 116.047344113
• Heavy Atom Count: 8
• Complexity: 97.8

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC=O)C(=O)O