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(Q82051127)
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CHEMBL1539493
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
196.063662876
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₈N₂O
0 references
canonical SMILES
C1=CC=C(C=C1)C2=CNC(=O)C(=C2)C#N
0 references
Identifiers
InChI
InChI=1S/C12H8N2O/c13-7-10-6-11(8-14-12(10)15)9-4-2-1-3-5-9/h1-6,8H,(H,14,15)
0 references
InChIKey
PPAIIRSMKNKVOH-UHFFFAOYSA-N
0 references
CAS Registry Number
35982-93-5
0 references
PubChem CID
297061
1 reference
matched by identifier from
InChIKey
InChIKey
PPAIIRSMKNKVOH-UHFFFAOYSA-N
UniChem compound ID
920528
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00304858
1 reference
matched by identifier from
InChIKey
InChIKey
PPAIIRSMKNKVOH-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID70255989
0 references
NSC number
167775
0 references
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