1,3-Dihydroxy-4-methyl-9H-xanthen-9-one

Base Information

• Chemical Name: 1,3-Dihydroxy-4-methyl-9H-xanthen-9-one
• CAS No.: 55092-48-3
• Molecular Formula: C14H10O4
• Molecular Weight: 242.23
• DSSTox Substance ID: DTXSID10418632
• Nikkaji Number: J127.272A
• Wikidata: Q82229239
• ChEMBL ID: CHEMBL362107
• Mol file: 55092-48-3.mol

Synonyms:1,3-Dihydroxy-4-methyl-9H-xanthen-9-one;55092-48-3;CHEMBL362107;9H-Xanthen-9-one, 1,3-dihydroxy-4-methyl-;DTXSID10418632;LETPFDPOVPABGM-UHFFFAOYSA-N;BDBM50155439;1,3-Dihydroxy-4-methyl-xanthen-9-one;1,3-Dihydroxy-4-methyl-9H-xanthen-9-one #

Chemical Property of 1,3-Dihydroxy-4-methyl-9H-xanthen-9-one

Chemical Property:

• Boiling Point: 478.8±45.0 °C(Predicted)
• PKA: 7.32±0.20(Predicted)
• PSA: 70.67000
• Density: 1.452±0.06 g/cm3(Predicted)
• LogP: 2.66580
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 242.05790880
• Heavy Atom Count: 18
• Complexity: 343

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=C(C=C1O)O)C(=O)C3=CC=CC=C3O2

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