2-[(Carboxymethyl)thio]benzoic acid
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![2-[(Carboxymethyl)thio]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7c4f57c54772419eaba58c4861c06a28.png "2-[(Carboxymethyl)thio]benzoic acid")
2-[(Carboxymethyl)thio]benzoic acid
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CAS No:
135-13-7
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Formula:
C9H8O4S
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Chemical Name:
2-[(Carboxymethyl)thio]benzoic acid
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Synonyms:
Benzoic acid,2-[(carboxymethyl)thio]-;Benzoic acid,o-[(carboxymethyl)thio]-;Benzoic acid,o-(carboxymethylmercapto)-;2-[(Carboxymethyl)thio]benzoic acid;o-[(Carboxymethyl)thio]benzoic acid;(o-Carboxyphenylthio)acetic acid;NSC 379;NSC 5347;2-[(Carboxymethyl)sulfanyl]benzoic acid
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CAS No:
2-[(Carboxymethyl)thio]benzoic acid Basic Attributes
212.22200
212.22
205-178-5
P2T1UOX9U3
5347|379
DTXSID90159192
2930909090
Safety Information
S22-S24/25
DG4975500
T
P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, P501
H301
|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:212.22
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:212.01432991
Monoisotopic Mass:212.01432991
Topological Polar Surface Area:99.9
Heavy Atom Count:14
Complexity:229
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 2-[(Carboxymethyl)thio]benzoic acid
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2-[(Carboxymethyl)thio]benzoic acid
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