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Acetylmalononitrile
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
108.0983
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₅H₄N₂O
0 references
canonical SMILES
CC(=O)C(C#N)C#N
0 references
Identifiers
InChI
InChI=1S/C5H4N2O/c1-4(8)5(2-6)3-7/h5H,1H3
0 references
InChIKey
FGRLXMNNTHBYKL-UHFFFAOYSA-N
0 references
CAS Registry Number
1187-11-7
0 references
PubChem CID
3457331
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
FGRLXMNNTHBYKL-UHFFFAOYSA-N
UniChem compound ID
1473587
1 reference
stated in
UniChem
NMRShiftDB structure ID
20045224
1 reference
matched by identifier from
InChIKey
InChIKey
FGRLXMNNTHBYKL-UHFFFAOYSA-N
DSSTox substance ID
DTXSID30392662
1 reference
matched by identifier from
InChIKey
InChIKey
FGRLXMNNTHBYKL-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80343523
0 references
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