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Compound
Ethyl 4-(2-pyrazinylmethoxy)benzoate
HCID
19983178
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
CCOC(=O)c1ccc(OCc2cnccn2)cc1
InChIKey
USDQJVHMNUJLER-UHFFFAOYSA-N
Molecular formula
C14H14N2O3
Average molar mass
258.27 g/mol
Monoisotopic mass
258.10044231
Names & identifiers
Preferred name
Ethyl 4-(2-pyrazinylmethoxy)benzoate
IUPAC
ethyl 4-(pyrazin-2-ylmethoxy)benzoate
Names & synonyms
SCHEMBL9384432
USDQJVHMNUJLER-UHFFFAOYSA-N
ethyl 4-(2-pyrazinylmethoxy)benzoate
Database identifiers
PubChem CID
19983178
Properties
Computed structural properties
XLogP
1.5
Topological polar surface area
61.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
19
Formal charge
0
Complexity
278
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
196962
As product
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
1460204
As product
uspto-grants-1991_12
Compound notes
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