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22-iododocosanoic Acid

HCID 9876391
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound 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 AcidSCHEMBL4530726UAOCZGUYONJJEM-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

Related reactions

2 records
New reaction record
HRID 190102 reaction equation
HRID 190102As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 544416 reaction equation
HRID 544416As productuspto-grants-1984_05

Compound notes

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