Basic information
- CAS
88565-73-5- Standard SMILES
CCCCOc1c(I)cc(I)c(OCC(=O)O)c1I- InChIKey
MWGBIQLMPNPIHK-UHFFFAOYSA-N- Molecular formula
- C12H13I3O4
- Average molar mass
- 601.94 g/mol
- Monoisotopic mass
- 601.7948
Names & identifiers
- Preferred name
- Acetic acid, (3-butoxy-2,4,6-triiodophenoxy)-
- IUPAC
- 2-(3-butoxy-2,4,6-triiodophenoxy)acetic acid
Names & synonyms
(3-Butoxy-2,4,6-triiodophenoxy)acetic acidACETIC ACID, (3-BUTOXY-2,4,6-TRIIODOPHENOXY)-88565-73-5DTXSID50237122RefChem:316197DTXCID50159613
Database identifiers
- CAS
88565-73-5- PubChem CID
- 55832
- DTXSID
DTXSID50237122
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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