1,2,3,4-Tetrahydro-2-(3-mercapto-1-oxopropyl)-1-isoquinolinecarboxylic acid
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1,2,3,4-Tetrahydro-2-(3-mercapto-1-oxopropyl)-1-isoquinolinecarboxylic acid
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CAS No:
92932-75-7
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Formula:
C13H15NO3S
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Chemical Name:
1,2,3,4-Tetrahydro-2-(3-mercapto-1-oxopropyl)-1-isoquinolinecarboxylic acid
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Synonyms:
1-Isoquinolinecarboxylic acid,1,2,3,4-tetrahydro-2-(3-mercapto-1-oxopropyl)-;1,2,3,4-Tetrahydro-2-(3-mercapto-1-oxopropyl)-1-isoquinolinecarboxylic acid;EU 4881;86324-47-2
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CAS No:
1,2,3,4-Tetrahydro-2-(3-mercapto-1-oxopropyl)-1-isoquinolinecarboxylic acid Basic Attributes
265.32800
265.33
Computed Properties
Molecular Weight:265.33
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:265.07726451
Monoisotopic Mass:265.07726451
Topological Polar Surface Area:58.6
Heavy Atom Count:18
Complexity:334
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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