3-Butenoic acid, 3-(chlorocarbonyl)-, methyl ester

Base Information

• Chemical Name: 3-Butenoic acid, 3-(chlorocarbonyl)-, methyl ester
• CAS No.: 54468-50-7
• Molecular Formula: C6H7ClO3
• Molecular Weight: 162.573
• DSSTox Substance ID: DTXSID20466063
• Nikkaji Number: J900.611G
• Wikidata: Q82292453

Synonyms:54468-50-7;3-Butenoic acid, 3-(chlorocarbonyl)-, methyl ester;methyl 3-carboxybut-3-enoate;SCHEMBL7072031;DTXSID20466063;AKOS040806537

Chemical Property of 3-Butenoic acid, 3-(chlorocarbonyl)-, methyl ester

Chemical Property:

• PSA: 43.37000
• LogP: 0.87110
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 162.0083718
• Heavy Atom Count: 10
• Complexity: 174

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC(=C)C(=O)Cl

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