6,7,8-Trihydroxy-2H-1-benzopyran-2-one

Base Information

• Chemical Name: 6,7,8-Trihydroxy-2H-1-benzopyran-2-one
• CAS No.: 114371-80-1
• Molecular Formula: C9H6O5
• Molecular Weight: 194.144
• ChEMBL ID: CHEMBL4171780
• DSSTox Substance ID: DTXSID70473747
• Nikkaji Number: J672.789A
• Wikidata: Q82303354
• Mol file: 114371-80-1.mol

Synonyms:6,7,8-trihydroxycoumarin;6,7,8-Trihydroxy-2H-1-benzopyran-2-one;114371-80-1;SCHEMBL4658019;CHEMBL4171780;DTXSID70473747;CHEBI:178006;NSDVPAHANCHBFV-UHFFFAOYSA-N;AKOS000277571

Chemical Property of 6,7,8-Trihydroxy-2H-1-benzopyran-2-one

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 194.02152329
• Heavy Atom Count: 14
• Complexity: 274

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=O)OC2=C(C(=C(C=C21)O)O)O