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(Q82155551)
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English
3-[(3,4-dimethylphenyl)thio]propanoic acid
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
210.2942
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₄O₂S
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canonical SMILES
CC1=C(C=C(C=C1)SCCC(=O)O)C
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Identifiers
InChI
InChI=1S/C11H14O2S/c1-8-3-4-10(7-9(8)2)14-6-5-11(12)13/h3-4,7H,5-6H2,1-2H3,(H,12,13)
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InChIKey
OVGUBQSJOHHQOX-UHFFFAOYSA-N
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CAS Registry Number
104216-46-8
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PubChem CID
2463167
1 reference
matched by identifier from
InChIKey
InChIKey
OVGUBQSJOHHQOX-UHFFFAOYSA-N
UniChem compound ID
23349177
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40368757
1 reference
matched by identifier from
InChIKey
InChIKey
OVGUBQSJOHHQOX-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID50319795
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