Piperochromanoic acid

Base Information

• Chemical Name: Piperochromanoic acid
• CAS No.: 110979-03-8
• Molecular Formula: C22H28 O4
• DSSTox Substance ID: DTXSID401108102
• Mol file: 110979-03-8.mol

Synonyms:Piperochromanoic acid;CHEBI:175587;DTXSID401108102;110979-03-8;(+)-2-[(3Z)-4,8-Dimethyl-3,7-nonadien-1-yl]-3,4-dihydro-8-hydroxy-3-methylene-2H-1-benzopyran-6-carboxylic acid;2-(4,8-Dimethyl-3,7-nonadienyl)-3,4-dihydro-8-hydroxy-3-methylene-2H-1-benzopyran-6-carboxylic acid, 9CI;2-[(3Z)-4,8-dimethylnona-3,7-dienyl]-8-hydroxy-3-methylidene-4H-chromene-6-carboxylic acid

Chemical Property of Piperochromanoic acid

Chemical Property:

• XLogP3: 5.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 356.19875937
• Heavy Atom Count: 26
• Complexity: 571

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=CCCC(=CCCC1C(=C)CC2=C(O1)C(=CC(=C2)C(=O)O)O)C)C
• Isomeric SMILES: CC(=CCC/C(=C\CCC1C(=C)CC2=C(O1)C(=CC(=C2)C(=O)O)O)/C)C