2-[[(3,4-Dihydro-3,3-dimethyl-1-isoquinolinyl)methyl]thio]benzoic acid
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![2-[[(3,4-Dihydro-3,3-dimethyl-1-isoquinolinyl)methyl]thio]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1dceb99441d44d148e946fbafc52ba09.png "2-[[(3,4-Dihydro-3,3-dimethyl-1-isoquinolinyl)methyl]thio]benzoic acid")
2-[[(3,4-Dihydro-3,3-dimethyl-1-isoquinolinyl)methyl]thio]benzoic acid
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CAS No:
332358-90-4
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Formula:
C19H19NO2S
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Chemical Name:
2-[[(3,4-Dihydro-3,3-dimethyl-1-isoquinolinyl)methyl]thio]benzoic acid
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Synonyms:
Benzoic acid,2-[[(3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)methyl]thio]-;2-[[(3,4-Dihydro-3,3-dimethyl-1-isoquinolinyl)methyl]thio]benzoic acid
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CAS No:
2-[[(3,4-Dihydro-3,3-dimethyl-1-isoquinolinyl)methyl]thio]benzoic acid Basic Attributes
325.42
325.42
Computed Properties
Molecular Weight:325.4
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:325.11365002
Monoisotopic Mass:325.11365002
Topological Polar Surface Area:75
Heavy Atom Count:23
Complexity:474
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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