Basic information
- CAS
84695-78-3- Standard SMILES
O=C(O)C(I)C(=O)O- InChIKey
KPPZMQVVJYLLJL-UHFFFAOYSA-N- Molecular formula
- C3H3IO4
- Average molar mass
- 229.96 g/mol
- Monoisotopic mass
- 229.90761
Names & identifiers
- Preferred name
- Iodopropanedioic acid
- IUPAC
- 2-iodopropanedioic acid
Names & synonyms
Iodopropanedioic acid84695-78-3DTXSID30603184RefChem:349466DTXCID60553941iodomalonic acidSCHEMBL5610969
Database identifiers
- CAS
84695-78-3- PubChem CID
- 20163314
- DTXSID
DTXSID30603184- Nikkaji
- J668.298G
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 106
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…