3,4-dihydro-2H-thiochromene-4-carboxylic acid
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3,4-dihydro-2H-thiochromene-4-carboxylic acid
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CAS No:
112605-32-0
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Formula:
C10H10O2S
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Chemical Name:
3,4-dihydro-2H-thiochromene-4-carboxylic acid
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Synonyms:
Thiochroman-4-carboxylic Acid;3,4-dihydro-2H-1-benzothiopyran-4-carboxylic acid;80858-99-7;CHEMBL81625;112605-32-0;3,4-dihydro-2h-thiochromene-4-carboxylic acid;ACMC-20cjtv;thiochroman-4-carboxylic;2H-1-Benzothiopyran-4-carboxylic acid, 3,4-dihydro-;SCHEMBL1844609;DTXSID30920843;BDBM50022427;AKOS017527993;MCULE-5431717015;DB-105165;EN300-91709;Z1263580018
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CAS No:
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, 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:194.25
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:194.04015073
Monoisotopic Mass:194.04015073
Topological Polar Surface Area:62.6
Heavy Atom Count:13
Complexity:205
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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