(3S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid
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(3S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid
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CAS No:
103733-66-0
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Formula:
C12H15NO4
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Chemical Name:
(3S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid
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Synonyms:
3-Isoquinolinecarboxylic acid,1,2,3,4-tetrahydro-6,7-dimethoxy-,(3S)-;3-Isoquinolinecarboxylic acid,1,2,3,4-tetrahydro-6,7-dimethoxy-,(S)-;(3S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid;(S)-6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylicα acid;(3S)-6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate;(S)-6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
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CAS No:
(3S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid Basic Attributes
273.71300
237.25
962K79T8SA
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:237.25
XLogP3:-1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:237.10010796
Monoisotopic Mass:237.10010796
Topological Polar Surface Area:67.8
Heavy Atom Count:17
Complexity:284
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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