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Ethyl 4-(2-pyrazinylmethoxy)benzoate

HCID 19983178
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound 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

SCHEMBL9384432USDQJVHMNUJLER-UHFFFAOYSA-Nethyl 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

Related reactions

2 records
New reaction record
HRID 196962 reaction equation
HRID 196962As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1460204 reaction equation
HRID 1460204As productuspto-grants-1991_12

Compound notes

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