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9-Phenylnon-2-en-4,6,8-triyn-1-ol

HCID 53884591
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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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

Related reactions

1 records
New reaction record
HRID 136595 reaction equation
HRID 136595As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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