Chavicinic acid

Base Information

• Chemical Name: Chavicinic acid
• CAS No.: 495-89-6
• Molecular Formula: C12H10O4
• Molecular Weight: 218.2054
• UNII: JUO0E351AY
• Wikidata: Q27281705
• ChEMBL ID: CHEMBL1371235
• Mol file: 495-89-6.mol

Synonyms:Chavicinic acid;Piperic acid, (Z,E)-;UNII-JUO0E351AY;JUO0E351AY;495-89-6;CHEMBL1371235;PIPERIC ACID, (Z,Z)-;NCGC00014297;PIPERIC ACID (Z,Z)-FORM [MI];NCGC00014297-02;NCGC00097406-01;Q27281705;2,4-PENTADIENOIC ACID, 5-(1,3-BENZODIOXOL-5-YL)-, (2Z,4Z)-;2,4-PENTADIENOIC ACID, 5-(1,3-BENZODIOXOL-5-YL)-, (Z,Z)-;5-(1,3-BENZODIOXOL-5-YL)-2,4-PENTADIENOIC ACID, (2Z,4Z)-

Chemical Property of Chavicinic acid

Chemical Property:

• Boiling Point: 427.9°Cat760mmHg
• Flash Point: 171.4°C
• Density: 1.34g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 218.05790880
• Heavy Atom Count: 16
• Complexity: 308

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C=C2)C=CC=CC(=O)O
• Isomeric SMILES: C1OC2=C(O1)C=C(C=C2)/C=C\C=C/C(=O)O