Obovatal

Base Information

• Chemical Name: Obovatal
• CAS No.: 83864-77-1
• Molecular Formula: C₁₈H₁₆O₄
• Molecular Weight: 296.323
• Hs Code.: 2912499000
• Nikkaji Number: J193.305A
• Pharos Ligand ID: YW7HNXCMHGYX
• Metabolomics Workbench ID: 129163
• ChEMBL ID: CHEMBL242530
• Mol file: 83864-77-1.mol

Synonyms:3,4-dihydroxy-5-(4-allylphenoxy)cinnamic aldehyde;obovatal

Chemical Property of Obovatal

Chemical Property:

• Vapor Pressure: 1.56E-09mmHg at 25°C
• Boiling Point: 472°C at 760 mmHg
• Flash Point: 171.5°C
• PSA: 66.76000
• Density: 1.236g/cm³
• LogP: 3.83070
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 296.10485899
• Heavy Atom Count: 22
• Complexity: 385

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCC1=CC=C(C=C1)OC2=CC(=CC(=C2O)O)C=CC=O
• Isomeric SMILES: C=CCC1=CC=C(C=C1)OC2=CC(=CC(=C2O)O)/C=C/C=O

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