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Ethyl 2-propoxybenzenecarboximidate

HCID 4180854
NotesReactions
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Basic information

Standard SMILES
CCCOc1ccccc1C(=N)OCC
InChIKey
JUTSDGNBZVSBAM-UHFFFAOYSA-N
Molecular formula
C12H17NO2
Average molar mass
207.27 g/mol
Monoisotopic mass
207.12592879

Names & identifiers

Preferred name
Ethyl 2-propoxybenzenecarboximidate
IUPAC
ethyl 2-propoxybenzenecarboximidate

Database identifiers

PubChem CID
4180854

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
42.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
15
Formal charge
0
Complexity
194

Related reactions

1 records
New reaction record
HRID 309325 reaction equation
HRID 309325As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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