Guaiaretic acid

Base Information

• Chemical Name: Guaiaretic acid
• CAS No.: 500-40-3
• Molecular Formula: C₂₀H₂₄O₄
• Molecular Weight: 328.408
• UNII: 9U7RAA1SKY
• Nikkaji Number: J2.825.631K
• Wikidata: Q27273233
• ChEMBL ID: CHEMBL2261562
• Mol file: 500-40-3.mol

Synonyms:Guaiaretic acid;Guaiacic acid;UNII-9U7RAA1SKY;9U7RAA1SKY;Guaiaretic acid [WHO-DD];500-40-3;CHEMBL2261562;Phenol, 4,4'-((1Z,3R)-2,3-dimethyl-1-butene-1,4-diyl)bis(2-methoxy-;SCHEMBL23484465;BDBM50487924;Q27273233;4-[(Z,2R)-4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbut-3-enyl]-2-methoxyphenol

Chemical Property of Guaiaretic acid

Chemical Property:

• PSA: 58.92000
• LogP: 4.39710
• XLogP3: 5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 328.16745924
• Heavy Atom Count: 24
• Complexity: 408

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC1=CC(=C(C=C1)O)OC)C(=CC2=CC(=C(C=C2)O)OC)C
• Isomeric SMILES: C[C@H](CC1=CC(=C(C=C1)O)OC)/C(=C\C2=CC(=C(C=C2)O)OC)/C