7,3'-Dihydroxy-4'-methoxyflavan

Base Information

• Chemical Name: 7,3'-Dihydroxy-4'-methoxyflavan
• CAS No.: 76426-35-2
• Molecular Formula: C16H16O4
• Molecular Weight: 272.10
• DSSTox Substance ID: DTXSID60458442
• Nikkaji Number: J2.675.087C
• Wikidata: Q82281712
• Metabolomics Workbench ID: 126168
• ChEMBL ID: CHEMBL2017115
• Mol file: 76426-35-2.mol

Synonyms:7,3'-Dihydroxy-4'-methoxyflavan;76426-35-2;2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;CHEMBL2017115;2H-1-Benzopyran-7-ol, 3,4-dihydro-2-(3-hydroxy-4-methoxyphenyl)-;3',7-dihydroxy-4'-methoxyflavan;(2S)-7,3'-Dihydroxy-4'-methoxyflavane;SCHEMBL1245170;DTXSID60458442;CHEBI:180153;2H-1-Benzopyran-7-ol, 3,4-dihydro-2-(3-hydroxy-4-methoxyphenyl)-, (S)-;(2S)-3,4-Dihydro-2-(3-hydroxy-4-methoxyphenyl)-2H-1-benzopyran-7-ol;(2S)-3',7-Dihydroxy-4'-methoxyflavan;BDBM50380998;AKOS032948871;A882975;2-(3-HYDROXY-4-METHOXYPHENYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-7-OL

Chemical Property of 7,3'-Dihydroxy-4'-methoxyflavan

Chemical Property:

• Boiling Point: 482.554 °C at 760 mmHg
• Flash Point: 245.64 °C
• Density: 1.282 g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 272.10485899
• Heavy Atom Count: 20
• Complexity: 322

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C2CCC3=C(O2)C=C(C=C3)O)O