CHEBI:195107 - 4-(Thien-2-ylmethyl)benzoic acid

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ChEBI Name 4-(Thien-2-ylmethyl)benzoic acid
ChEBI ID CHEBI:195107
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H10O2S
Net Charge 0
Average Mass 218.270
Monoisotopic Mass 218.04015
InChI InChI=1S/C12H10O2S/c13-12(14)10-5-3-9(4-6-10)8-11-2-1-7-15-11/h1-7H,8H2,(H,13,14)
InChIKey OAIBKSRZDOMJKZ-UHFFFAOYSA-N
SMILES S1C(CC2=CC=C(C=C2)C(O)=O)=CC=C1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 4-(Thien-2-ylmethyl)benzoic acid (CHEBI:195107) is a benzoic acids (CHEBI:22723)
IUPAC Name
4-(thiophen-2-ylmethyl)benzoic acid