Basic information
- CAS
90794-35-7- Standard SMILES
CCC(Oc1ccccc1I)C(=O)O- InChIKey
KIDZSAAAYZHRNO-UHFFFAOYSA-N- Molecular formula
- C10H11IO3
- Average molar mass
- 306.1 g/mol
- Monoisotopic mass
- 305.97529
Names & identifiers
- Preferred name
- Butyric acid, 2-(o-iodophenoxy)-
- IUPAC
- 2-(2-iodophenoxy)butanoic acid
Names & synonyms
90794-35-7BUTYRIC ACID, 2-(o-IODOPHENOXY)-RefChem:10804592-(2-iodophenoxy)butanoic acid2-(o-Iodophenoxy)butyric acidBRN 32726634-06-00-01071 (Beilstein Handbook Reference)DTXSID40920157A1-61051
Database identifiers
- CAS
90794-35-7- PubChem CID
- 56121
- DTXSID
DTXSID40920157
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 196
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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