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2-[2-Phenylethoxy]ethylidene propanedinitrile

HCID 19082226
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
N#CC(C#N)=CCOCCc1ccccc1
InChIKey
ZJHAMHJWHBCBLG-UHFFFAOYSA-N
Molecular formula
C13H12N2O
Average molar mass
212.25 g/mol

Names & identifiers

Preferred name
2-[2-Phenylethoxy]ethylidene propanedinitrile
IUPAC
2-[2-(2-phenylethoxy)ethylidene]propanedinitrile

Names & synonyms

SCHEMBL8671784ZJHAMHJWHBCBLG-UHFFFAOYSA-N2-[2-Phenylethoxy]ethylidene propanedinitrile

Database identifiers

PubChem CID
19082226

Properties

Computed structural properties

XLogP
2
Topological polar surface area
56.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
16
Formal charge
0
Complexity
304

Related reactions

3 records
New reaction record
HRID 265292 reaction equation
HRID 265292As productuspto-grants-1997_07
HRID 963561 reaction equation
HRID 963561As productuspto-grants-1998_06
HRID 1544364 reaction equation
HRID 1544364As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes