17beta-Cyano-17alpha-hydroxyandrosta-4,9(11)-dien-3-one

Base Information

• Chemical Name: 17beta-Cyano-17alpha-hydroxyandrosta-4,9(11)-dien-3-one
• CAS No.: 83196-56-9
• Molecular Formula: C₂₀H₂₅NO₂
• Molecular Weight: 311.424
• European Community (EC) Number: 617-448-3
• DSSTox Substance ID: DTXSID901184872

Synonyms:SCHEMBL8940232;WAYJZBKPYHUYKH-HTDHLNIYSA-N;DTXSID901184872;17alpha-hydroxy-17beta-cyano-androst-4,9(11)-dien-3-one;17beta-Cyano-17alpha-hydroxyandrosta-4,9(11)-dien-3-one;(17alpha)-17-Hydroxy-3-oxoandrosta-4,9(11)-diene-17-carbonitrile;83196-56-9

Chemical Property of 17beta-Cyano-17alpha-hydroxyandrosta-4,9(11)-dien-3-one

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 311.188529040
• Heavy Atom Count: 23
• Complexity: 696

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC12CCC(=O)C=C1CCC3C2=CCC4(C3CCC4(C#N)O)C
• Isomeric SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3C2=CC[C@]4([C@H]3CC[C@@]4(C#N)O)C

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