3-(Thien-2-yl)benzoic acid
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3-(Thien-2-yl)benzoic acid
structure -
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CAS No:
29886-63-3
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Formula:
C11H8O2S
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Chemical Name:
3-(Thien-2-yl)benzoic acid
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Synonyms:
Benzoic acid,3-(2-thienyl)-;Benzoic acid,m-2-thienyl-;3-(2-Thienyl)benzoic acid;3-(Thien-2-yl)benzoic acid;3-Thiophen-2-yl-benzoic acid;3-Thiophen-2-ylbenzoic acid
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CAS No:
Safety Information
IRRITANT
22
S26
Xi,Xn
Irritant
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:204.25
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:204.02450067
Monoisotopic Mass:204.02450067
Topological Polar Surface Area:65.5
Heavy Atom Count:14
Complexity:217
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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