17-beta-Hydroxyestr-4-en-3-one 17-(undec-10-enoate)

Base Information

• Chemical Name: 17-beta-Hydroxyestr-4-en-3-one 17-(undec-10-enoate)
• CAS No.: 85702-62-1
• Molecular Formula: C29H44 O3
• Molecular Weight: 440.6579
• European Community (EC) Number: 288-254-0
• DSSTox Substance ID: DTXSID50234994
• Nikkaji Number: J310.779E
• Wikidata: Q83116845
• Mol file: 85702-62-1.mol

Synonyms:17-beta-Hydroxyestr-4-en-3-one 17-(undec-10-enoate);EINECS 288-254-0;85702-62-1;DTXSID50234994;17beta-[(1-Oxo-10-undecenyl)oxy]estr-4-en-3-one

Chemical Property of 17-beta-Hydroxyestr-4-en-3-one 17-(undec-10-enoate)

Chemical Property:

• Boiling Point: 550.4°Cat760mmHg
• Flash Point: 231.8°C
• PSA: 43.37000
• Density: 1.04g/cm³
• LogP: 7.34680
• XLogP3: 7.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 440.32904526
• Heavy Atom Count: 32
• Complexity: 722

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2OC(=O)CCCCCCCCC=C)CCC4=CC(=O)CCC34
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCCCCCCCC=C)CCC4=CC(=O)CC[C@H]34

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