Oxypeucedanin

Base Information

• Chemical Name: Oxypeucedanin
• CAS No.: 3173-02-2
• Deprecated CAS: 28324-60-9,30528-19-9
• Molecular Formula: C16H14 O5
• Molecular Weight: 286.27936
• UNII: YMX5YR54P9
• DSSTox Substance ID: DTXSID601346554
• Nikkaji Number: J20.739J
• Wikidata: Q27138810
• Metabolomics Workbench ID: 123711
• ChEMBL ID: CHEMBL1609439
• Mol file: 3173-02-2.mol

Synonyms:4-(2,3-dihydroxy-3-methylbutoxy)-7H-furo(3,2-g)(1)benzopyran-7-one;oxypeucadanin;oxypeucadanin hydrate;oxypeucadanin, (R)-(+)-isomer;oxypeucadanin, (S)-(-)-isomer;oxypeucedanin;oxypeucedarin

Chemical Property of Oxypeucedanin

Chemical Property:

• PSA: 65.11000
• LogP: 3.09540
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 286.08412354
• Heavy Atom Count: 21
• Complexity: 471

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(C(O1)COC2=C3C=CC(=O)OC3=CC4=C2C=CO4)C
• Isomeric SMILES: CC1([C@H](O1)COC2=C3C=CC(=O)OC3=CC4=C2C=CO4)C