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2,5-Dimethoxybenzonitrile
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
163.063328528
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₉H₉NO₂
0 references
canonical SMILES
COC1=CC(=C(C=C1)OC)C#N
0 references
melting point
82.0
degree Celsius
1 reference
stated in
Jean-Claude Bradley Open Melting Point Dataset
Identifiers
InChI
InChI=1S/C9H9NO2/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-5H,1-2H3
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InChIKey
HWAMEJIMXIXLIH-UHFFFAOYSA-N
0 references
CAS Registry Number
5312-97-0
1 reference
InChIKey
HWAMEJIMXIXLIH-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=5312-97-0
PubChem CID
79200
1 reference
matched by identifier from
InChIKey
InChIKey
HWAMEJIMXIXLIH-UHFFFAOYSA-N
UniChem compound ID
7006744
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70201209
1 reference
matched by identifier from
InChIKey
InChIKey
HWAMEJIMXIXLIH-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID20123700
0 references
NSC number
27019
0 references
EC number
226-169-2
0 references
ECHA Substance Infocard ID
100.023.791
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.023.791
retrieved
29 December 2019
title
2,5-dimethoxybenzonitrile
(English)
quotation
CAS no.: 5312-97-0
(English)
UNII
4Z9ABJ2RLU
1 reference
matched by identifier from
InChIKey
InChIKey
HWAMEJIMXIXLIH-UHFFFAOYSA-N
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