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(Q82237299)
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English
1-(2-Methoxy-phenyl)-5-methyl-1H-[1,2,3]triazole-4-carboxylic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
233.2238
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₁N₃O₃
0 references
canonical SMILES
CC1=C(N=NN1C2=CC=CC=C2OC)C(=O)O
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Identifiers
InChI
InChI=1S/C11H11N3O3/c1-7-10(11(15)16)12-13-14(7)8-5-3-4-6-9(8)17-2/h3-6H,1-2H3,(H,15,16)
0 references
InChIKey
XDIJXIDIHIYINO-UHFFFAOYSA-N
0 references
CAS Registry Number
210159-13-0
1 reference
InChIKey
XDIJXIDIHIYINO-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=210159-13-0
PubChem CID
6494329
1 reference
matched by identifier from
InChIKey
InChIKey
XDIJXIDIHIYINO-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL3406092
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XDIJXIDIHIYINO-UHFFFAOYSA-N
UniChem compound ID
23702654
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00424641
1 reference
matched by identifier from
InChIKey
InChIKey
XDIJXIDIHIYINO-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30375475
0 references
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