4-[[(13S,16R,17R)-3,16,17-trihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl]diazenyl]benzoic acid
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![4-[[(13S,16R,17R)-3,16,17-trihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl]diazenyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b9e85487c577409585d8480adf9c8f69.png "4-[[(13S,16R,17R)-3,16,17-trihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl]diazenyl]benzoic acid")
4-[[(13S,16R,17R)-3,16,17-trihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl]diazenyl]benzoic acid
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CAS No:
57266-76-9
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Formula:
C25H28N2O5
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Chemical Name:
4-[[(13S,16R,17R)-3,16,17-trihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl]diazenyl]benzoic acid
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Synonyms:
2-(4'-carboxyphenylazo)estriol;2-(4'-Carboxyphenylazo)estriol;57266-76-9;Benzoic acid, 4-(((16alpha,17beta)-3,16,17-trihydroxyestra-1,3,5(10)-trien-2-yl)azo)-
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CAS No:
4-[[(13S,16R,17R)-3,16,17-trihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl]diazenyl]benzoic acid Basic Attributes
436.5 g/mol
436.19982200 g/mol
Computed Properties
Molecular Weight:436.5
XLogP3:3.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:436.19982200
Monoisotopic Mass:436.19982200
Topological Polar Surface Area:123
Heavy Atom Count:32
Complexity:738
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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