2-(3,4,5-Triiodophenoxy)butanoic acid
Basic information
- CAS
90842-74-3- Standard SMILES
CCC(Oc1cc(I)c(I)c(I)c1)C(=O)O- InChIKey
DYKGPZLYTBFBCA-UHFFFAOYSA-N- Molecular formula
- C10H9I3O3
- Average molar mass
- 557.89 g/mol
- Monoisotopic mass
- 557.7686
Names & identifiers
- Preferred name
- 2-(3,4,5-Triiodophenoxy)butanoic acid
- IUPAC
- 2-(3,4,5-triiodophenoxy)butanoic acid
Names & synonyms
2-(3,4,5-triiodophenoxy)butanoic acid90842-74-3DTXSID30920126RefChem:1060966DTXCID4013490452-(3,4,5-Triiodophenoxy)butyric acidBRN 3353863BUTYRIC ACID, 2-(3,4,5-TRIIODOPHENOXY)-4-06-00-01088 (Beilstein Handbook Reference)
Database identifiers
- CAS
90842-74-3- PubChem CID
- 56130
- DTXSID
DTXSID30920126
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 237
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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