hydratropic acid, 3-(3-oxomorpholino)-2,4,6-triiodo-, sodium salt
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Basic information
- CAS
21762-13-0- Standard SMILES
CC(C(=O)O)c1c(I)cc(I)c(N2CCOCC2=O)c1I- InChIKey
XFFNHHQOPCDDKA-UHFFFAOYSA-N- Molecular formula
- C13H12I3NO4
- Average molar mass
- 626.95 g/mol
- Monoisotopic mass
- 626.7901
Names & identifiers
- Preferred name
- hydratropic acid, 3-(3-oxomorpholino)-2,4,6-triiodo-, sodium salt
- IUPAC
- 2-[2,4,6-triiodo-3-(3-oxomorpholin-4-yl)phenyl]propanoic acid
Names & synonyms
21762-13-03-(3-Oxomorpholino)-2,4,6-triiodohydratropic acid sodium saltHydratropic acid, 3-(3-oxomorpholino)-2,4,6-triiodo-, sodium saltRefChem:3479822-[2,4,6-triiodo-3-(3-oxomorpholin-4-yl)phenyl]propanoic acidDTXSID80944372
Database identifiers
- CAS
21762-13-0- PubChem CID
- 210853
- DTXSID
DTXSID80944372
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 422
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Compound notes
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