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(Q82691586)
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English
(6E)-3-Methyl-6-{[(pyridin-2(1H)-ylidene)methyl]imino}cyclohexa-2,4-dien-1-one
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
212.094963004
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₂N₂O
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1=CC(=O)/C(=N/C=C2C=CC=CN2)C=C1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
CC1=CC(=O)/C(=N/C=C2C=CC=CN2)C=C1
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Identifiers
InChI
InChI=1S/C13H12N2O/c1-10-5-6-12(13(16)8-10)15-9-11-4-2-3-7-14-11/h2-9,14H,1H3/b11-9?,15-12+
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InChIKey
BOMRPPJWJQGCAI-ORISLZTFSA-N
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CAS Registry Number
105516-36-7
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DSSTox substance ID
DTXSID30744066
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DSSTOX compound identifier
DTXCID30694810
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