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Compound
9-Phenylnon-2-en-4,6,8-triyn-1-ol
HCID
53884591
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Basic information
Standard SMILES
OCC=CC#CC#CC#Cc1ccccc1
InChIKey
HMFLNCZMUQHOCB-UHFFFAOYSA-N
Molecular formula
C15H10O
Average molar mass
206.24 g/mol
Names & identifiers
Preferred name
9-Phenylnon-2-en-4,6,8-triyn-1-ol
IUPAC
9-phenylnon-2-en-4,6,8-triyn-1-ol
Names & synonyms
SCHEMBL10741270
Database identifiers
PubChem CID
53884591
Properties
Computed structural properties
XLogP
2.9
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
16
Formal charge
0
Complexity
423
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Related reactions
1 records
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As solvent
HRID
136595
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Compound notes
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