5-Hydroxy-3-methoxy-2-pentenoic acid

Base Information

• Chemical Name: 5-Hydroxy-3-methoxy-2-pentenoic acid
• CAS No.: 136468-08-1
• Molecular Formula: C6H10 O4
• Molecular Weight: 146.14
• Nikkaji Number: J399.028A
• Metabolomics Workbench ID: 98617
• Mol file: 136468-08-1.mol

Synonyms:5-hydroxy-3-methoxy-2-pentenoic acid;arabenoic acid

Chemical Property of 5-Hydroxy-3-methoxy-2-pentenoic acid

Chemical Property:

• Vapor Pressure: 3.55E-06mmHg at 25°C
• Boiling Point: 346.6°Cat760mmHg
• PKA: 4.86±0.33(Predicted)
• Flash Point: 149.2°C
• PSA: 66.76000
• Density: 1.223g/cm³
• LogP: -0.01630
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 146.05790880
• Heavy Atom Count: 10
• Complexity: 139

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=CC(=O)O)CCO
• Isomeric SMILES: CO/C(=C/C(=O)O)/CCO

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