7alpha-Allylestradiol

Base Information

• Chemical Name: 7alpha-Allylestradiol
• CAS No.: 119020-31-4
• Molecular Formula: C₂₁H₂₈O₂
• Molecular Weight: 312.452
• DSSTox Substance ID: DTXSID201194339
• Nikkaji Number: J3.079.780I

Synonyms:7alpha-Allylestradiol;SCHEMBL16485502;DTXSID201194339;(7alpha,17beta)-7-(2-Propen-1-yl)estra-1,3,5(10)-triene-3,17-diol;119020-31-4

Chemical Property of 7alpha-Allylestradiol

Chemical Property:

• XLogP3: 4.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 312.208930132
• Heavy Atom Count: 23
• Complexity: 461

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2O)C(CC4=C3C=CC(=C4)O)CC=C
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CC=C

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