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(Q82016906)
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English
3,5-bis(ethoxycarbonyl)-4-methyl-1H-pyrrole-2-carboxylic 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
269.0899372
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₅NO₆
0 references
canonical SMILES
CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)C(=O)O
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Identifiers
InChI
InChI=1S/C12H15NO6/c1-4-18-11(16)7-6(3)8(12(17)19-5-2)13-9(7)10(14)15/h13H,4-5H2,1-3H3,(H,14,15)
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InChIKey
GLIIUALSMNDSMN-UHFFFAOYSA-N
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CAS Registry Number
37789-75-6
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PubChem CID
231108
1 reference
matched by identifier from
InChIKey
InChIKey
GLIIUALSMNDSMN-UHFFFAOYSA-N
UniChem compound ID
23412100
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90282590
1 reference
matched by identifier from
InChIKey
InChIKey
GLIIUALSMNDSMN-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30233743
0 references
NSC number
26687
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