3-Methyl-2-cyclobutene-1,2-dicarboxylic acid

Base Information

• Chemical Name: 3-Methyl-2-cyclobutene-1,2-dicarboxylic acid
• CAS No.: 4924-54-3
• Molecular Formula: C7H8O4
• Molecular Weight: 156.14
• DSSTox Substance ID: DTXSID00964193
• Nikkaji Number: J48.590J
• Mol file: 4924-54-3.mol

Synonyms:3-Methyl-2-cyclobutene-1,2-dicarboxylic acid;BRN 2641861;4924-54-3;2-CYCLOBUTENE-1,2-DICARBOXYLIC ACID, 3-METHYL-;4-09-00-02887 (Beilstein Handbook Reference);3-methylcyclobut-2-ene-1,2-dicarboxylic acid;SCHEMBL5480475;DTXSID00964193;LS-55929

Chemical Property of 3-Methyl-2-cyclobutene-1,2-dicarboxylic acid

Chemical Property:

• Vapor Pressure: 7.08E-07mmHg at 25°C
• Melting Point: 189-190.5 °C(Solv: water (7732-18-5))
• Boiling Point: 381.5°C at 760 mmHg
• PKA: 4.00±0.60(Predicted)
• Flash Point: 198.7°C
• PSA: 74.60000
• Density: 1.49g/cm³
• LogP: 0.49200
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 156.04225873
• Heavy Atom Count: 11
• Complexity: 251

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(C1)C(=O)O)C(=O)O

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