Basic information
- CAS
118725-10-3- Standard SMILES
O=C(O)C(I)(C(=O)O)c1ccccc1- InChIKey
DLUITZKSVZAXLV-UHFFFAOYSA-N- Molecular formula
- C9H7IO4
- Average molar mass
- 306.05 g/mol
- Monoisotopic mass
- 305.93891
Names & identifiers
- Preferred name
- 2-Iodo-2-phenylpropanedioic acid
- IUPAC
- 2-iodo-2-phenylpropanedioic acid
Names & synonyms
2-Iodo-2-phenylpropanedioic acid118725-10-3RefChem:262151iodophenylmalonic acidIodo(phenyl)propanedioic acidDTXSID101302808
Database identifiers
- CAS
118725-10-3- PubChem CID
- 85579253
- DTXSID
DTXSID101302808
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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