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(Q82555599)
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English
2-[3-(2-Methylphenyl)propanoyl]benzonitrile
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
249.1153641
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₁₅NO
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canonical SMILES
CC1=CC=CC=C1CCC(=O)C2=CC=CC=C2C#N
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Identifiers
InChI
InChI=1S/C17H15NO/c1-13-6-2-3-7-14(13)10-11-17(19)16-9-5-4-8-15(16)12-18/h2-9H,10-11H2,1H3
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InChIKey
YVBDJLIVTBNCMX-UHFFFAOYSA-N
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CAS Registry Number
898789-22-5
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PubChem CID
24725615
1 reference
matched by identifier from
InChIKey
InChIKey
YVBDJLIVTBNCMX-UHFFFAOYSA-N
UniChem compound ID
23554119
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40644008
1 reference
matched by identifier from
InChIKey
InChIKey
YVBDJLIVTBNCMX-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID20594759
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