4-(Mercaptomethyl)benzoic acid
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4-(Mercaptomethyl)benzoic acid
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CAS No:
39088-65-8
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Formula:
C8H8O2S
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Chemical Name:
4-(Mercaptomethyl)benzoic acid
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Synonyms:
Benzoic acid,4-(mercaptomethyl)-;p-Toluic acid,α-mercapto-;4-(Mercaptomethyl)benzoic acid;4-Mercaptomethylbenzoic acid
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CAS No:
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:168.21
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:168.02450067
Monoisotopic Mass:168.02450067
Topological Polar Surface Area:38.3
Heavy Atom Count:11
Complexity:139
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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