2-Methoxy-4-(methylthio)benzoic acid
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2-Methoxy-4-(methylthio)benzoic acid
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CAS No:
72856-73-6
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Formula:
C9H10O3S
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Chemical Name:
2-Methoxy-4-(methylthio)benzoic acid
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Synonyms:
Benzoic acid,2-methoxy-4-(methylthio)-;2-Methoxy-4-(methylthio)benzoic acid;2-Methoxy-4-(methylmercapto)benzoic acid;2-Methoxy-4-(methylsulfanyl)benzoic acid
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CAS No:
2-Methoxy-4-(methylthio)benzoic acid Basic Attributes
198.23900
198.24
276-948-6
DTXSID50223161
2930909090
Safety Information
R36/37/38
S26-S36
|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|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:198.24
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:198.03506535
Monoisotopic Mass:198.03506535
Topological Polar Surface Area:71.8
Heavy Atom Count:13
Complexity:184
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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