7-(1-carboxyethyl)-6,8-dichloro-1,4a-dimethyl-3-oxo-4,9,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid
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7-(1-carboxyethyl)-6,8-dichloro-1,4a-dimethyl-3-oxo-4,9,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid
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CAS No:
86547-11-7
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Formula:
C20H22Cl2O5
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Chemical Name:
7-(1-carboxyethyl)-6,8-dichloro-1,4a-dimethyl-3-oxo-4,9,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid
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Synonyms:
86547-11-7;DTXSID701006901;12,14-Dichloro-2-oxoabieta-8(14),9(11),12-triene-16,18-dioic acid;2-Phenanthreneacetic acid, 8-carboxy-1,3-dichloro-4b,5,6,7,8,8a,9,10-octahydro-alpha,4b,8-trimethyl-6-oxo-
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CAS No:
7-(1-carboxyethyl)-6,8-dichloro-1,4a-dimethyl-3-oxo-4,9,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid Basic Attributes
413.3 g/mol
412.0844292 g/mol
Computed Properties
Molecular Weight:413.3
XLogP3:4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:412.0844292
Monoisotopic Mass:412.0844292
Topological Polar Surface Area:91.7
Heavy Atom Count:27
Complexity:667
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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