Basic information
- CAS
22621-40-5- Standard SMILES
COC(=O)c1cc(OC(C)=O)ccc1I- InChIKey
HRVZFEACPOXONC-UHFFFAOYSA-N- Molecular formula
- C10H9IO4
- Average molar mass
- 320.08 g/mol
- Monoisotopic mass
- 319.95456
Names & identifiers
- Preferred name
- Methyl O-acetyl-5-iodosalicylate
- IUPAC
- methyl 5-acetyloxy-2-iodobenzoate
Names & synonyms
Methyl O-acetyl-5-iodosalicylate22621-40-5DTXSID80177143EINECS 245-136-3RefChem:157972DTXCID7099634245-136-3methyl 5-(acetyloxy)-2-iodobenzoateHRVZFEACPOXONC-UHFFFAOYSA-NNS00027233
Database identifiers
- CAS
22621-40-5- PubChem CID
- 89776
- DTXSID
DTXSID80177143- EC Number
- 245-136-3
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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