(E)-2-(2-methylpropyl)but-2-enedioic acid

Base Information

• Chemical Name: (E)-2-(2-methylpropyl)but-2-enedioic acid
• CAS No.: 7147-32-2
• Molecular Formula: C8H12 O4
• Molecular Weight: 172.18
• NSC Number: 25320
• Mol file: 7147-32-2.mol

Synonyms:NSC25320;7147-32-2;SCHEMBL7700265;NSC-25320

Chemical Property of (E)-2-(2-methylpropyl)but-2-enedioic acid

Chemical Property:

• Vapor Pressure: 1.58E-05mmHg at 25°C
• Boiling Point: 340.4°C at 760 mmHg
• Flash Point: 173.8°C
• PSA: 74.60000
• Density: 1.198g/cm³
• LogP: 1.12810
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 172.07355886
• Heavy Atom Count: 12
• Complexity: 215

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(=CC(=O)O)C(=O)O
• Isomeric SMILES: CC(C)C/C(=C\C(=O)O)/C(=O)O