2-methyl-5-methylsulfonylbenzoic acid
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2-methyl-5-methylsulfonylbenzoic acid
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CAS No:
151104-37-9
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Formula:
C9H10O4S
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Chemical Name:
2-methyl-5-methylsulfonylbenzoic acid
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Synonyms:
2-methyl-5-(methylsulfonyl)benzoic acid;151104-37-9;2-methyl-5-methylsulfonylbenzoic acid;MFCD06340094;5-methanesulfonyl-2-methylbenzoic acid;SCHEMBL35247;ZINC2661417;5587AJ;AKOS008030532;MCULE-1184640488;NE43778;BS-13884;DA-28909;SY030783;Benzoic acid, 2-methyl-5-(methylsulfonyl)-;FT-0766583;EN300-10181;SR-01000054259;SR-01000054259-1
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CAS No:
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, 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:214.24
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:214.02997997
Monoisotopic Mass:214.02997997
Topological Polar Surface Area:79.8
Heavy Atom Count:14
Complexity:314
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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