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(Q82628930)
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English
4-[2-(2-Methoxypyridin-3-yl)-2-oxoethyl]benzonitrile
chemical compound
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instance of
type of chemical entity
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subclass of
chemical compound
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mass
252.089877624
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₁₂N₂O₂
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canonical SMILES
COC1=C(C=CC=N1)C(=O)CC2=CC=C(C=C2)C#N
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Identifiers
InChI
InChI=1S/C15H12N2O2/c1-19-15-13(3-2-8-17-15)14(18)9-11-4-6-12(10-16)7-5-11/h2-8H,9H2,1H3
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InChIKey
KERGGHMUKPLUTM-UHFFFAOYSA-N
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CAS Registry Number
898785-95-0
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PubChem CID
53424782
1 reference
matched by identifier from
InChIKey
InChIKey
KERGGHMUKPLUTM-UHFFFAOYSA-N
UniChem compound ID
51173991
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70698610
1 reference
matched by identifier from
InChIKey
InChIKey
KERGGHMUKPLUTM-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID20649359
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