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(Q82245993)
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English
2-(3-CYANOPHENYL)ACETOPHENONE
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
benzylketone flavonoid
1 reference
based on heuristic
inferred from SMILES
mass
221.084063972
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₁₁NO
0 references
canonical SMILES
C1=CC=C(C=C1)C(=O)CC2=CC(=CC=C2)C#N
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Identifiers
InChI
InChI=1S/C15H11NO/c16-11-13-6-4-5-12(9-13)10-15(17)14-7-2-1-3-8-14/h1-9H,10H2
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InChIKey
GEOQUDPIRPINGB-UHFFFAOYSA-N
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CAS Registry Number
62043-83-8
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PubChem CID
9859311
1 reference
matched by identifier from
InChIKey
InChIKey
GEOQUDPIRPINGB-UHFFFAOYSA-N
UniChem compound ID
23648153
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00431951
1 reference
matched by identifier from
InChIKey
InChIKey
GEOQUDPIRPINGB-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID90382781
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