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CHEMBL97029
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
220.109944372
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₃H₁₆O₃
0 references
canonical SMILES
CCCCOc1ccc(/C=C/C(=O)O)cc1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
CCCCOC1=CC=C(C=C1)/C=C/C(=O)O
0 references
Identifiers
InChI
InChI=1S/C13H16O3/c1-2-3-10-16-12-7-4-11(5-8-12)6-9-13(14)15/h4-9H,2-3,10H2,1H3,(H,14,15)/b9-6+
0 references
InChIKey
AAHNIBROSVVFRO-RMKNXTFCSA-N
0 references
CAS Registry Number
55379-96-9
0 references
PubChem CID
5285558
1 reference
matched by identifier from
InChIKey
InChIKey
AAHNIBROSVVFRO-RMKNXTFCSA-N
UniChem compound ID
576026
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10415303
1 reference
matched by identifier from
InChIKey
InChIKey
AAHNIBROSVVFRO-RMKNXTFCSA-N
DSSTOX compound identifier
DTXCID60366154
0 references
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