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(Q82126707)
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English
4-(pyridin-2-ylsulfanylmethyl)benzoic acid
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
245.051049592
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₁₁NO₂S
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canonical SMILES
C1=CC=NC(=C1)SCC2=CC=C(C=C2)C(=O)O
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Identifiers
InChI
InChI=1S/C13H11NO2S/c15-13(16)11-6-4-10(5-7-11)9-17-12-3-1-2-8-14-12/h1-8H,9H2,(H,15,16)
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InChIKey
WVJPZRUUOGYPAV-UHFFFAOYSA-N
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CAS Registry Number
82145-80-0
1 reference
InChIKey
WVJPZRUUOGYPAV-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=82145-80-0
PubChem CID
685236
1 reference
matched by identifier from
InChIKey
InChIKey
WVJPZRUUOGYPAV-UHFFFAOYSA-N
UniChem compound ID
857861
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60350654
1 reference
matched by identifier from
InChIKey
InChIKey
WVJPZRUUOGYPAV-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID00301721
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