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(Q82615209)
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English
5-[3-(Methanesulfonyl)phenyl]pyridine-3-carboxylic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
277.04087883200003
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₁₁NO₄S
0 references
canonical SMILES
CS(=O)(=O)C1=CC=CC(=C1)C2=CC(=CN=C2)C(=O)O
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Identifiers
InChI
InChI=1S/C13H11NO4S/c1-19(17,18)12-4-2-3-9(6-12)10-5-11(13(15)16)8-14-7-10/h2-8H,1H3,(H,15,16)
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InChIKey
UKNZELWCEQXNDA-UHFFFAOYSA-N
0 references
CAS Registry Number
1261973-40-3
1 reference
InChIKey
UKNZELWCEQXNDA-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=1261973-40-3
PubChem CID
53224211
1 reference
matched by identifier from
InChIKey
InChIKey
UKNZELWCEQXNDA-UHFFFAOYSA-N
UniChem compound ID
23188897
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50688175
1 reference
matched by identifier from
InChIKey
InChIKey
UKNZELWCEQXNDA-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID60638924
0 references
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