3-[(4-Methylphenyl)thio]propanoic acid
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![3-[(4-Methylphenyl)thio]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/15988945724141ebbad7dff74fbe8ace.png "3-[(4-Methylphenyl)thio]propanoic acid")
3-[(4-Methylphenyl)thio]propanoic acid
structure -
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CAS No:
13739-35-0
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Formula:
C10H12O2S
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Chemical Name:
3-[(4-Methylphenyl)thio]propanoic acid
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Synonyms:
Propanoic acid,3-[(4-methylphenyl)thio]-;Propionic acid,3-(p-tolylthio)-;3-[(4-Methylphenyl)thio]propanoic acid;3-(P-Tolylthio)propionic acid;NSC 64356;3-[(4-Methylphenyl)thio]propionic acid;3-p-Tolylsulfanyl-propionic acid;3-[(4-Methylphenyl)sulfanyl]propanoic acid
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CAS No:
3-[(4-Methylphenyl)thio]propanoic acid Basic Attributes
196.26600
196.27
237-311-8
BUC5LW7DYL
64356
DTXSID20160170
2930909090
Safety Information
UN 2811 6.1/PG 3
R22
S26; S36/37/39
Xn
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:196.27
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:196.05580079
Monoisotopic Mass:196.05580079
Topological Polar Surface Area:62.6
Heavy Atom Count:13
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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