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(Q82532523)
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English
4-(2,5-Dihydro-1H-pyrrole-1-carbonyl)-3-methylbenzonitrile
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
212.2477
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₂N₂O
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canonical SMILES
CC1=C(C=CC(=C1)C#N)C(=O)N2CC=CC2
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Identifiers
InChI
InChI=1S/C13H12N2O/c1-10-8-11(9-14)4-5-12(10)13(16)15-6-2-3-7-15/h2-5,8H,6-7H2,1H3
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InChIKey
JHVQTVRFRZVNNR-UHFFFAOYSA-N
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CAS Registry Number
651045-04-4
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PubChem CID
22600482
1 reference
matched by identifier from
InChIKey
InChIKey
JHVQTVRFRZVNNR-UHFFFAOYSA-N
UniChem compound ID
54458963
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40626788
1 reference
matched by identifier from
InChIKey
InChIKey
JHVQTVRFRZVNNR-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID60577541
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