AKOS B018459
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AKOS B018459
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CAS No:
667436-13-7
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Formula:
C12H16O2S
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Chemical Name:
AKOS B018459
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Synonyms:
CHEMBRDG-BB 3018459;ART-CHEM-BB B018459;AKOS B018459;5-PROPYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID;5-PROPYL-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID;5-propyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid(SALTDATA: FREE)
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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:224.32
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:224.08710092
Monoisotopic Mass:224.08710092
Topological Polar Surface Area:65.5
Heavy Atom Count:15
Complexity:242
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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