cis-Caffeic acid

Base Information

• Chemical Name: cis-Caffeic acid
• CAS No.: 4361-87-9
• Molecular Formula: C9H8O4
• Molecular Weight: 180.16
• Nikkaji Number: J22.602E
• Wikidata: Q27102378
• Metabolomics Workbench ID: 37954
• ChEMBL ID: CHEMBL1320034
• Mol file: 4361-87-9.mol

Synonyms:3,4-dihydroxycinnamic acid;caffeic acid;caffeic acid, (E)-isomer;caffeic acid, (Z)-isomer;caffeic acid, monosodium salt;cis-caffeic acid;sodium caffeate;trans-caffeic acid

Chemical Property of cis-Caffeic acid

Chemical Property:

• PSA: 0.00000
• LogP: 0.00000
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 180.04225873
• Heavy Atom Count: 13
• Complexity: 212

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C=CC(=O)O)O)O
• Isomeric SMILES: C1=CC(=C(C=C1/C=C\C(=O)O)O)O