Ferulic acid 4-sulfate

Base Information

• Chemical Name: Ferulic acid 4-sulfate
• CAS No.: 151481-53-7
• Molecular Formula: C10H10O7S
• UNII: YDV7C77DVB
• Nikkaji Number: J1.261.368G,J991.484F
• Metabolomics Workbench ID: 43740
• ChEMBL ID: CHEMBL2009479

Synonyms:Ferulic acid 4-sulfate;Ferulic Acid 4-O-Sulfate;86321-29-1;3-[3-Methoxy-4-(sulfooxy)phenyl]-2-propenoic Acid;(E)-3-(3-methoxy-4-sulfooxyphenyl)prop-2-enoic acid;2-Propenoic acid, 3-(3-methoxy-4-(sulfooxy)phenyl)-;(2E)-3-[3-methoxy-4-(sulfooxy)phenyl]prop-2-enoic acid;NSC670826;ferulic acid sulfate;SCHEMBL4359478;CHEMBL2009479;CHEBI:133508;MS-23890;3-Methoxy-4-(sulfooxy)benzeneacrylic acid;HY-147323;3-Methoxy-4-(sulfooxy)-trans-cinnamic acid;CS-0565801;F84534;3-[3-methoxy-4-(sulfooxy)phenyl]prop-2-enoic acid;Q51617497;(E)-3-(3-methoxy-4-sulfooxy-phenyl)prop-2-enoic acid;2-Propenoic acid, 3-[3-methoxy-4-(sulfooxy)phenyl]-, (2E)-;3-[3-Methoxy-4-(sulfooxy)phenyl]-2-propenoic Acid Disodium Salt

Chemical Property of Ferulic acid 4-sulfate

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 274.01472383
• Heavy Atom Count: 18
• Complexity: 408

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C=CC(=O)O)OS(=O)(=O)O
• Isomeric SMILES: COC1=C(C=CC(=C1)/C=C/C(=O)O)OS(=O)(=O)O

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