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9-Hydroxy-2-decanone (HCID 21187407)|Huagongshe
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Compound
9-Hydroxy-2-decanone
HCID
21187407
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
CC(=O)CCCCCCC(C)O
InChIKey
YNWWJGZENANFOC-UHFFFAOYSA-N
Molecular formula
C10H20O2
Average molar mass
172.26 g/mol
Names & identifiers
Preferred name
9-Hydroxy-2-decanone
IUPAC
9-hydroxydecan-2-one
Names & synonyms
9-hydroxy-2-decanone
SCHEMBL7947495
YNWWJGZENANFOC-UHFFFAOYSA-N
Database identifiers
PubChem CID
21187407
Properties
Computed structural properties
XLogP
1.8
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
7
Heavy atoms
12
Formal charge
0
Complexity
121
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
214965
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
1383288
As reactant
uspto-grants-2001_07
Compound notes
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