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3,4-Xylylacetonitrile
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
145.2014
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₁₁N
0 references
canonical SMILES
CC1=C(C=C(C=C1)CC#N)C
0 references
Identifiers
InChI
InChI=1S/C10H11N/c1-8-3-4-10(5-6-11)7-9(8)2/h3-4,7H,5H2,1-2H3
0 references
InChIKey
XNSHCUIBMZSUGL-UHFFFAOYSA-N
0 references
CAS Registry Number
3020-06-2
1 reference
InChIKey
XNSHCUIBMZSUGL-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=3020-06-2
PubChem CID
76401
0 references
SureChEMBL ID
SCHEMBL3244749
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XNSHCUIBMZSUGL-UHFFFAOYSA-N
UniChem compound ID
1691696
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80184296
0 references
DSSTOX compound identifier
DTXCID90106787
0 references
NSC number
26232
0 references
UNII
CP3RTS4L38
1 reference
matched by identifier from
InChIKey
InChIKey
XNSHCUIBMZSUGL-UHFFFAOYSA-N
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