cis-3-Coumaric acid

Base Information

• Chemical Name: cis-3-Coumaric acid
• CAS No.: 25429-38-3
• Molecular Formula: C9H8 O3
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID901270116
• Nikkaji Number: J3.437.182B
• Wikidata: Q27120851
• Metabolomics Workbench ID: 56836
• Mol file: 25429-38-3.mol

Synonyms:cis-3-coumaric acid;(2Z)-3-(3-hydroxyphenyl)acrylic acid;(2Z)-3-(3-hydroxyphenyl)prop-2-enoic acid;3-(Hydroxyphenyl)-2-propenoic acid;2-Propenoic acid, 3-(hydroxyphenyl)-;25429-38-3;82735-70-4;cis-m-Coumaric acid;z-3-hydroxycinnamic acid;SCHEMBL10504122;CHEBI:47926;Cinnamic acid, 3-hydroxy-, cis-;DTXSID901270116;(Z)-3-(3-Hydroxyphenyl)propenoic acid;Q27120851;DBA3A1BA-0C36-4544-8E89-DFD7D31558A5

Chemical Property of cis-3-Coumaric acid

Chemical Property:

• Melting Point: 214 °C
• PSA: 57.53000
• LogP: 1.67010
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 164.047344113
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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