4H-1-Benzopyran-4-one, 3-acetyl-5,7-dihydroxy-2-methyl-

Base Information

• Chemical Name: 4H-1-Benzopyran-4-one, 3-acetyl-5,7-dihydroxy-2-methyl-
• CAS No.: 1022-78-2
• Molecular Formula: C12H10O5
• Molecular Weight: 234.20500
• Hs Code.: 2914400090
• UNII: 6HH9KJ5G78
• DSSTox Substance ID: DTXSID50418777
• Nikkaji Number: J104.313G
• Wikidata: Q82229453
• Mol file: 1022-78-2.mol

Synonyms:1022-78-2;3-acetyl-5,7-dihydroxy-2-methylchromen-4-one;4H-1-Benzopyran-4-one, 3-acetyl-5,7-dihydroxy-2-methyl-;3-Acetyl-5,7-dihydroxy-2-methyl-4H-chromen-4-one;2-Methyl-3-acetyl-5,7-dihydroxy-4H-1-benzopyran-4-one;Chromone, 3-acetyl-5,7-dihydroxy-2-methyl-;SCHEMBL1853545;DTXSID50418777;3-acetyl-5,7-dihydroxy-2-methylchromone;AK-087/42718362;3-Acetyl-5,7-dihydroxy-2-methyl-4H-chromen-4-one #;3-acetyl-5,7-dihydroxy-2-methyl-4H-1-benzopyran-4-one

Chemical Property of 4H-1-Benzopyran-4-one, 3-acetyl-5,7-dihydroxy-2-methyl-

Chemical Property:

• PSA: 87.74000
• LogP: 1.71520
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 234.05282342
• Heavy Atom Count: 17
• Complexity: 398

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=O)C2=C(C=C(C=C2O1)O)O)C(=O)C