Estra-1,3,5(10),16-tetraene-3,17-diol, 3,17-diacetate
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Estra-1,3,5(10),16-tetraene-3,17-diol, 3,17-diacetate
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CAS No:
20592-42-1
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Formula:
C22H26O4
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Chemical Name:
Estra-1,3,5(10),16-tetraene-3,17-diol, 3,17-diacetate
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Synonyms:
Estra-1,3,5(10),16-tetraene-3,17-diol,3,17-diacetate;Estra-1,3,5(10),16-tetraene-3,17-diol,diacetate;Estrone enol diacetate;NSC 97079
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CAS No:
Estra-1,3,5(10),16-tetraene-3,17-diol, 3,17-diacetate Basic Attributes
354.43900
354.44
243-899-7
97079
Characteristics
52.60000
4.52490
1.19g/cm3
146-151 °C @ Solvent: Acetone
490.8ºC at 760 mmHg
245.3ºC
1.576
8.84E-10mmHg at 25°C
Safety Information
|Warning|H302 (94.12%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P308+P313, P312, P322, P330, P363, P405, and P501|Aggregated GHS information provided by 17 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:354.4
XLogP3:4.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:354.18310931
Monoisotopic Mass:354.18310931
Topological Polar Surface Area:52.6
Heavy Atom Count:26
Complexity:624
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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