(3-Methylbutyl)propanedioic acid

Base Information

• Chemical Name: (3-Methylbutyl)propanedioic acid
• CAS No.: 616-87-5
• Molecular Formula: C8H14O4
• Molecular Weight: 174.197
• NSC Number: 128129
• DSSTox Substance ID: DTXSID90977191
• Nikkaji Number: J95.705D
• Wikidata: Q82962284

Synonyms:616-87-5;(3-methylbutyl)propanedioic acid;isoamylmalonic acid;NSC128129;SCHEMBL5860242;DTXSID90977191;DULGSKUOZFWTAB-UHFFFAOYSA-N;NSC-128129

Chemical Property of (3-Methylbutyl)propanedioic acid

Chemical Property:

• Vapor Pressure: 2.47E-05mmHg at 25°C
• Boiling Point: 334.2°C at 760 mmHg
• Flash Point: 170.1°C
• Density: 1.156g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 174.08920892
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCC(C(=O)O)C(=O)O

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