(1E)-7-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-1-heptene-3,5-dione

Base Information

• Chemical Name: (1E)-7-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-1-heptene-3,5-dione
• CAS No.: 112494-43-6
• Molecular Formula: C21H22O7
• Molecular Weight: 386.401
• ChEMBL ID: CHEMBL482608
• DSSTox Substance ID: DTXSID901157130
• Mol file: 112494-43-6.mol

Synonyms:CHEMBL482608;SCHEMBL3202039;DTXSID901157130;(1E)-7-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-1-heptene-3,5-dione;112494-43-6;1-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-(6e)-6-heptene-3,5-dione

Chemical Property of (1E)-7-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-1-heptene-3,5-dione

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 386.13655304
• Heavy Atom Count: 28
• Complexity: 547

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C=CC(=O)CC(=O)CC(C2=CC(=C(C=C2)O)OC)O)O
• Isomeric SMILES: COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)CC(C2=CC(=C(C=C2)O)OC)O)O