Estradiol 17-pivalate

Base Information

• Chemical Name: Estradiol 17-pivalate
• CAS No.: 1323-51-9
• Molecular Formula: C23H34O4
• Molecular Weight: 0
• UNII: I12U06L6S4
• DSSTox Substance ID: DTXSID40179603
• Nikkaji Number: J767.851G
• Wikipedia: Estradiol_pivalate
• Wikidata: Q24884592
• Mol file: 1323-51-9.mol

Synonyms:Estradiol 17-pivalate;Estradiol, 17-pivalate;estradiol pivalate;UNII-I12U06L6S4;I12U06L6S4;24894-50-6;Pivalic acid, 3-hydroxyestra-1,3,5(10)-trien-17beta-yl ester;Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-(2,2-dimethylpropanoate);ESTRADIOL MONOPIVALATE;SCHEMBL10327706;DTXSID40179603;Q24884592;Pivalic acid 3-hydroxyestra-1,3,5(10)-trien-17beta-yl ester;PIVALIC ACID, 3-HYDROXYESTRA-1,3,5(10)-TRIEN-17.BETA.-YL ESTER;ESTRA-1,3,5(10)-TRIENE-3,17-DIOL (17.BETA.)-, 17-(2,2-DIMETHYLPROPANOATE)

Chemical Property of Estradiol 17-pivalate

Chemical Property:

• Vapor Pressure: 9.82E-09mmHg at 25°C
• Boiling Point: 445.9°Cat760mmHg
• Flash Point: 209.6°C
• PSA: 77.76000
• Density: g/cm³
• LogP: 4.72630
• XLogP3: 6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 356.23514488
• Heavy Atom Count: 26
• Complexity: 550

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2OC(=O)C(C)(C)C)CCC4=C3C=CC(=C4)O
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)C(C)(C)C)CCC4=C3C=CC(=C4)O

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