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(Q82016251)
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English
3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2h-4,7-methanoisoindol-2-yl)propanenitrile
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
216.089877624
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₂N₂O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
N#CCCN1C(=O)C2C3C=CC(C3)C2C1=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C12H12N2O2/c13-4-1-5-14-11(15)9-7-2-3-8(6-7)10(9)12(14)16/h2-3,7-10H,1,5-6H2
0 references
InChIKey
NQNYPVHKUHWNPF-UHFFFAOYSA-N
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CAS Registry Number
1209-99-0
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PubChem CID
229960
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
66937836
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70282073
0 references
DSSTOX compound identifier
DTXCID70233227
0 references
NSC number
24064
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68813
0 references
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