(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) 4-nitrobenzoate
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(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) 4-nitrobenzoate
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CAS No:
41623-27-2
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Formula:
C25H25NO5
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Chemical Name:
(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) 4-nitrobenzoate
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Synonyms:
Estrone, p-nitrobenzoate;41623-27-2;Estrone p-nitrobenzoate;NSC 94683;NSC94683;3-Hydroxyestra-1,3,5(10)-trien-17-one p-nitrobenzoate;ESTRA-1,3,5(10)-TRIEN-17-ONE, 3-HYDROXY-, p-NITROBENZOATE;DTXSID60961845;NSC-94683;DS-007524;17-Oxoestra-1(10),2,4-trien-3-yl 4-nitrobenzoate;3-Hydroxyestra-1,5(10)-trien-17-one p-nitrobenzoate;Estra-1,5(10)-trien-17-one, 3-[(4-nitrobenzoyl)oxy]-;Estra-1,5(10)-trien-17-one, 3-hydroxy-, p-nitrobenzoate;Estra-1,3,5(10)-trien-17-one, 3-((4-nitrobenzoyl)oxy)- (9CI)
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CAS No:
(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) 4-nitrobenzoate Basic Attributes
419.5 g/mol
419.17327290 g/mol
94683
Computed Properties
Molecular Weight:419.5
XLogP3:4.7
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:419.17327290
Monoisotopic Mass:419.17327290
Topological Polar Surface Area:89.2
Heavy Atom Count:31
Complexity:739
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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