2,10a-Dihydro-8,10a-dihydroxy-3,11-dimethyl-1H-cyclopent(b)anthracene-5,10-dione

Base Information

• Chemical Name: 2,10a-Dihydro-8,10a-dihydroxy-3,11-dimethyl-1H-cyclopent(b)anthracene-5,10-dione
• CAS No.: 149471-08-9
• Molecular Formula: C19H16 O4
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID30933655
• Wikidata: Q82909488
• ChEMBL ID: CHEMBL485983
• Mol file: 149471-08-9.mol

Synonyms:kigelinone

Chemical Property of 2,10a-Dihydro-8,10a-dihydroxy-3,11-dimethyl-1H-cyclopent(b)anthracene-5,10-dione

Chemical Property:

• Vapor Pressure: 1.45E-16mmHg at 25°C
• Boiling Point: 626.6°Cat760mmHg
• Flash Point: 346.8°C
• PSA: 74.60000
• Density: 1.43g/cm³
• LogP: 2.86910
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 308.10485899
• Heavy Atom Count: 23
• Complexity: 724

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C=C3C(=O)C4=C(C=C(C=C4)O)C(=O)C3(C(=C2CC1)C)O