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English
Ethyl 3-(cyanomethyl)-benzoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
189.078978592
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₁H₁₁NO₂
0 references
canonical SMILES
CCOC(=O)C1=CC=CC(=C1)CC#N
0 references
Identifiers
InChI
InChI=1S/C11H11NO2/c1-2-14-11(13)10-5-3-4-9(8-10)6-7-12/h3-5,8H,2,6H2,1H3
0 references
InChIKey
QGWJUDWWDUECLY-UHFFFAOYSA-N
0 references
CAS Registry Number
13288-86-3
1 reference
InChIKey
QGWJUDWWDUECLY-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=13288-86-3
PubChem CID
83311
1 reference
matched by identifier from
InChIKey
InChIKey
QGWJUDWWDUECLY-UHFFFAOYSA-N
UniChem compound ID
26626570
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90157830
1 reference
matched by identifier from
InChIKey
InChIKey
QGWJUDWWDUECLY-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID0080321
0 references
UNII
TP49EHG45F
1 reference
matched by identifier from
InChIKey
InChIKey
QGWJUDWWDUECLY-UHFFFAOYSA-N
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