3-Isoquinolinecarboxylic acid, ethyl ester
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3-Isoquinolinecarboxylic acid, ethyl ester
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CAS No:
50458-79-2
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Formula:
C12H11NO2
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Chemical Name:
3-Isoquinolinecarboxylic acid, ethyl ester
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Synonyms:
3-Isoquinolinecarboxylic acid,ethyl ester;Ethyl 3-isoquinolinecarboxylate
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CAS No:
Safety Information
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, 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:201.22
XLogP3:2.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:201.078978594
Monoisotopic Mass:201.078978594
Topological Polar Surface Area:39.2
Heavy Atom Count:15
Complexity:230
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Isoquinolinecarboxylic acid, ethyl ester
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