Malonic acid, 2-(3,5-diiodo-4-(4-hydroxy-3-iodophenoxy)benzyl)-
Basic information
- CAS
73747-63-4- Standard SMILES
O=C(O)C(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O- InChIKey
XFXREEZEFAWCRI-UHFFFAOYSA-N- Molecular formula
- C16H11I3O6
- Average molar mass
- 679.97 g/mol
- Monoisotopic mass
- 679.769
Names & identifiers
- Preferred name
- Malonic acid, 2-(3,5-diiodo-4-(4-hydroxy-3-iodophenoxy)benzyl)-
- IUPAC
- 2-[[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]methyl]propanedioic acid
- English name
- 3,5-Diiodo-4-(4-hydroxy-3-iodophenoxy)benzylmalonic acid
- Molecular weight
- 0
Names & synonyms
2-(3,5-Diiodo-4-(4-hydroxy-3-iodophenoxy)benzyl)malonic acid73747-63-4BRN 26813983,5,3'-Triiodo-beta-carboxydesaminothyronineMALONIC ACID, 2-(3,5-DIIODO-4-(4-HYDROXY-3-IODOPHENOXY)BENZYL)-DTXSID60224088RefChem:351835DTXCID60146579{[4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenyl]methyl}propanedioic acid3,5-Diiodo-4-(4-hydroxy-3-iodophenoxy)benzylmalonic acid
Database identifiers
- CAS
73747-63-4- PubChem CID
- 52380
- DTXSID
DTXSID60224088- Nikkaji
- J147.608D
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 464
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…