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Compound
22-iododocosanoic Acid
HCID
9876391
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
O=C(O)CCCCCCCCCCCCCCCCCCCCCI
InChIKey
UAOCZGUYONJJEM-UHFFFAOYSA-N
Molecular formula
C22H43IO2
Average molar mass
466.5 g/mol
Names & identifiers
Preferred name
22-iododocosanoic Acid
IUPAC
22-iododocosanoic acid
Names & synonyms
22-iododocosanoic Acid
SCHEMBL4530726
UAOCZGUYONJJEM-UHFFFAOYSA-N
Database identifiers
PubChem CID
9876391
Properties
Computed structural properties
XLogP
10.4
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
21
Heavy atoms
25
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
190102
As product
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
544416
As product
uspto-grants-1984_05
Compound notes
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