2-phenylsulfanylpropanoic acid
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2-phenylsulfanylpropanoic acid
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CAS No:
17431-94-6
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Formula:
C9H10O2S
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Chemical Name:
2-phenylsulfanylpropanoic acid
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Synonyms:
2-(phenylsulfanyl)propanoic acid;17431-94-6;2-(phenylthio)propanoic acid;2-phenylsulfanylpropanoic acid;NSC115081;ACMC-20n4s7;2-(phenylthio)propionic acid;SCHEMBL1931354;Propanoic acid, 2-(phenylthio)-;HMS1788F05;AKOS000264445;AKOS016886971;MCULE-9280194220;NE43694;NSC-115081;Propanoic acid, 2-(phenylthio)-, (R)-;EN300-10954;146300-52-9
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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+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, 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:182.24
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:182.04015073
Monoisotopic Mass:182.04015073
Topological Polar Surface Area:62.6
Heavy Atom Count:12
Complexity:153
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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