1-(4-propan-2-ylsulfonylphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol
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1-(4-propan-2-ylsulfonylphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol
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CAS No:
21140-78-3
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Formula:
C18H21NO4S
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Chemical Name:
1-(4-propan-2-ylsulfonylphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol
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Synonyms:
21140-78-3;BRN 1507907;DTXSID20943465;1,2,3,4-Tetrahydro-1-(p-(isopropylsulfonyl)phenyl)-6,7-isoquinolinediol;6,7-ISOQUINOLINEDIOL, 1,2,3,4-TETRAHYDRO-1-(p-(ISOPROPYLSULFONYL)PHENYL)-;5-21-05-00596 (Beilstein Handbook Reference);1-[4-(PROPANE-2-SULFONYL)PHENYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-4,6-DIOL
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CAS No:
1-(4-propan-2-ylsulfonylphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol Basic Attributes
347.4 g/mol
347.11912932 g/mol
Computed Properties
Molecular Weight:347.4
XLogP3:1.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:347.11912932
Monoisotopic Mass:347.11912932
Topological Polar Surface Area:95
Heavy Atom Count:24
Complexity:522
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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