Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-benzoate 17-butanoate
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Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-benzoate 17-butanoate
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CAS No:
63042-18-2
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Formula:
C29H34O4
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Chemical Name:
Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-benzoate 17-butanoate
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Synonyms:
Estra-1,3,5(10)-triene-3,17-diol (17β)-,3-benzoate 17-butanoate
- Categories:
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CAS No:
Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-benzoate 17-butanoate Basic Attributes
446.58
446.58
263-807-9
ZE4IGI4UMH
2916399090
Characteristics
52.6
8.20
1.2±0.1 g/cm3
128.5-129.0 °C
558.6±50.0 °C at 760 mmHg
276.2±28.5 °C
1.590
2-8°C
Safety Information
3
20/21/22-40
22-36
Xn
P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P308+P313, P312, P322, P330, P363, P405, P501
H302
|Warning|H302 (100%): 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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:446.6
XLogP3:5.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:446.24570956
Monoisotopic Mass:446.24570956
Topological Polar Surface Area:52.6
Heavy Atom Count:33
Complexity:712
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-benzoate 17-butanoate
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