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(Q82305268)
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English
Benzeneacetic acid, 3-ethyl-2-(1H-pyrrol-1-yl)-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
229.2749
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₅NO₂
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canonical SMILES
CCC1=C(C(=CC=C1)CC(=O)O)N2C=CC=C2
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Identifiers
InChI
InChI=1S/C14H15NO2/c1-2-11-6-5-7-12(10-13(16)17)14(11)15-8-3-4-9-15/h3-9H,2,10H2,1H3,(H,16,17)
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InChIKey
HVLUZGKREMDAKP-UHFFFAOYSA-N
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CAS Registry Number
918667-53-5
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PubChem CID
11975981
1 reference
matched by identifier from
InChIKey
InChIKey
HVLUZGKREMDAKP-UHFFFAOYSA-N
UniChem compound ID
34505258
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20475034
1 reference
matched by identifier from
InChIKey
InChIKey
HVLUZGKREMDAKP-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID90425844
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