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4-Phenylcinnamonitrile (HCID 609613)|Huagongshe
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Compound
4-Phenylcinnamonitrile
HCID
609613
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
N#CC=Cc1ccc(-c2ccccc2)cc1
InChIKey
FVQBFFGMLBOGAP-UHFFFAOYSA-N
Molecular formula
C15H11N
Average molar mass
205.25 g/mol
Names & identifiers
Preferred name
4-Phenylcinnamonitrile
IUPAC
3-(4-phenylphenyl)prop-2-enenitrile
Names & synonyms
4-Phenylcinnamonitrile
SCHEMBL1287794
FVQBFFGMLBOGAP-UHFFFAOYSA-N
AKOS017436874
Database identifiers
PubChem CID
609613
Properties
Computed structural properties
XLogP
3.6
Topological polar surface area
23.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
269
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
124660
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
1156461
As product
uspto-grants-1982_06
Compound notes
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