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CHEBI:45467 - (2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID

Default Structure
ChEBI IDCHEBI:45467
ChEBI Name(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID
Stars
DownloadsMolfile
FormulaC17H20O2
Net Charge0
Average Mass256.345
Monoisotopic Mass256.14633
SMILES[H]OC(=O)/C([H])=C(\[H])c1c([H])c([H])c([H])c([H])c1C#CC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
InChIInChI=1S/C17H20O2/c1-2-3-4-5-6-7-10-15-11-8-9-12-16(15)13-14-17(18)19/h8-9,11-14H,2-6H2,1H3,(H,18,19)/b14-13+
InChIKeyKRDSGPLHVQJFLM-BUHFOSPRSA-N
ChEBI Ontology
Outgoing Relation(s)
(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID (CHEBI:45467) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDPDBeChem
(2E)-3-(2-oct-1-yn-1-ylphenyl)prop-2-enoic acidPDBeChem
Manual XrefsDatabases
RS7PDBeChem