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4,4-Diphenylnon-8-en-3-one (HCID 19981508)|Huagongshe
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Compound
4,4-Diphenylnon-8-en-3-one
HCID
19981508
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
C=CCCCC(C(=O)CC)(c1ccccc1)c1ccccc1
InChIKey
FGZZSCAISSUCCE-UHFFFAOYSA-N
Molecular formula
C21H24O
Average molar mass
292.4 g/mol
Names & identifiers
Preferred name
4,4-Diphenylnon-8-en-3-one
IUPAC
4,4-diphenylnon-8-en-3-one
Names & synonyms
4,4-diphenylnon-8-en-3-one
SCHEMBL8657831
FGZZSCAISSUCCE-UHFFFAOYSA-N
Database identifiers
PubChem CID
19981508
Properties
Computed structural properties
XLogP
5.1
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
8
Heavy atoms
22
Formal charge
0
Complexity
327
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
91107
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
1461149
As product
uspto-grants-1991_12
Compound notes
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