(4aR,9aS)-1,4,4a,9a-Tetrahydroanthracene-9,10-dione

Base Information

• Chemical Name: (4aR,9aS)-1,4,4a,9a-Tetrahydroanthracene-9,10-dione
• CAS No.: 52103-68-1
• Molecular Formula: C14H12O2
• Molecular Weight: 212.248
• DSSTox Substance ID: DTXSID80496487
• Nikkaji Number: J2.135.581J
• Wikidata: Q82345387
• Mol file: 52103-68-1.mol

Synonyms:52103-68-1;(4aR,9aS)-1,4,4a,9a-Tetrahydroanthracene-9,10-dione;DTXSID80496487;1,4,11,12-Tetrahydro-9,10-anthraquinone

Chemical Property of (4aR,9aS)-1,4,4a,9a-Tetrahydroanthracene-9,10-dione

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 212.083729621
• Heavy Atom Count: 16
• Complexity: 322

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CCC2C1C(=O)C3=CC=CC=C3C2=O
• Isomeric SMILES: C1C=CC[C@H]2[C@@H]1C(=O)C3=CC=CC=C3C2=O

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