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(Q82240127)
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English
BENZYL 6-HYDROXYNICOTINATE
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
229.2318
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₁NO₃
0 references
canonical SMILES
C1=CC=C(C=C1)COC(=O)C2=CNC(=O)C=C2
0 references
melting point
180.0
degree Celsius
1 reference
stated in
Jean-Claude Bradley Open Melting Point Dataset
Identifiers
InChI
InChI=1S/C13H11NO3/c15-12-7-6-11(8-14-12)13(16)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,14,15)
0 references
InChIKey
HGBIRINXNOIQIR-UHFFFAOYSA-N
0 references
CAS Registry Number
191157-01-4
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PubChem CID
7023014
1 reference
matched by identifier from
InChIKey
InChIKey
HGBIRINXNOIQIR-UHFFFAOYSA-N
UniChem compound ID
4125887
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30427468
1 reference
matched by identifier from
InChIKey
InChIKey
HGBIRINXNOIQIR-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID50378302
0 references
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