9,11-Dehydro Ethynyl Estradiol
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9,11-Dehydro Ethynyl Estradiol
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CAS No:
1231-96-5
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Formula:
C20H22O2
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Chemical Name:
9,11-Dehydro Ethynyl Estradiol
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Synonyms:
9,11-Dehydro Ethynyl Estradiol;Ethinyl Estradiol Related Compound B (10 mg) (19-Nor-17alpha-pregna-1,3,5(10),9(11)-tetraen-20-yne-3,17-diol);(17α)-19-Norpregna-1,3,5(10),9(11)-tetraen-20-yne-3,17-diol;19-Nor-17α-pregna-1,3,5(10),9(11)-tetraen-20-yne-3,17-diol;9,11-Dehydro Ethylnyl Estradiol (IMpurity B);Ethinyl Estradiol Related CoMpound B;9,11-Dehydro Ethylnyl Estradiol
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CAS No:
Safety Information
|Danger|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P260, P263, P264, P270, P273, P281, P301+P312, P308+P313, P330, P391, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
9,11-Dehydro Ethynyl Estradiol Use and Manufacturing
A degradation product of Ethynyl Estradiol (EE); an impurity of Ethynyl Estradiol (E685100).
Computed Properties
Molecular Weight:294.4
XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:294.161979940
Monoisotopic Mass:294.161979940
Topological Polar Surface Area:40.5
Heavy Atom Count:22
Complexity:555
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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