CHEBI:95048 - 4-(4-octylphenyl)benzoic acid

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ChEBI Name 4-(4-octylphenyl)benzoic acid
ChEBI ID CHEBI:95048
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H26O2
Net Charge 0
Average Mass 310.431
Monoisotopic Mass 310.19328
InChI InChI=1S/C21H26O2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)19-13-15-20(16-14-19)21(22)23/h9-16H,2-8H2,1H3,(H,22,23)
InChIKey HXBKPYIEQLLNBK-UHFFFAOYSA-N
SMILES CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O
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-(4-octylphenyl)benzoic acid (CHEBI:95048) is a biphenyls (CHEBI:22888)
4-(4-octylphenyl)benzoic acid (CHEBI:95048) is a carboxybiphenyl (CHEBI:141493)
Manual Xref Database
LSM-6290 LINCS
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Last Modified
24 July 2018