3-(3,5-Bis-methanesulfonyl-phenyl)propionic acid
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3-(3,5-Bis-methanesulfonyl-phenyl)propionic acid
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CAS No:
1040682-15-2
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Formula:
C11H14O6S2
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Chemical Name:
3-(3,5-Bis-methanesulfonyl-phenyl)propionic acid
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Synonyms:
3-(3,5-Bis-methanesulfonyl-phenyl)propionic acid;1040682-15-2;3-(3,5-Bis-methanesulfonylphenyl)propionic acid;CTK7J3008;ZINC19738634;AKOS015852503;3-(3,5-Bis(methylsulfonyl)phenyl)propanoic acid
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CAS No:
Safety Information
IRRITANT
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|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:306.4
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:306.02318051
Monoisotopic Mass:306.02318051
Topological Polar Surface Area:122
Heavy Atom Count:19
Complexity:483
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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