3-Deoxy-3-(allyloxy)estrone

Base Information

• Chemical Name: 3-Deoxy-3-(allyloxy)estrone
• CAS No.: 1624-67-5
• Molecular Formula: C₂₁H₂₆O₂
• Molecular Weight: 310.436
• DSSTox Substance ID: DTXSID801240346
• Nikkaji Number: J1.066.954E

Synonyms:3-Deoxy-3-(allyloxy)estrone;SCHEMBL4827777;DTXSID801240346;3-(2-Propen-1-yloxy)estra-1,3,5(10)-trien-17-one;1624-67-5

Chemical Property of 3-Deoxy-3-(allyloxy)estrone

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 310.193280068
• Heavy Atom Count: 23
• Complexity: 484

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OCC=C
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OCC=C

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