Hexanoic acid, 2-(3-(N-methylacetamido)-2,4,6-triiodophenoxy)-
Basic information
- CAS
24340-19-0- Standard SMILES
CCCCC(Oc1c(I)cc(I)c(N(C)C(C)=O)c1I)C(=O)O- InChIKey
ZUOYTYCRBLTRRN-UHFFFAOYSA-N- Molecular formula
- C15H18I3NO4
- Average molar mass
- 657.02 g/mol
- Monoisotopic mass
- 656.837
Names & identifiers
- Preferred name
- Hexanoic acid, 2-(3-(N-methylacetamido)-2,4,6-triiodophenoxy)-
- IUPAC
- 2-[3-[acetyl(methyl)amino]-2,4,6-triiodophenoxy]hexanoic acid
- English name
- 2-[[3-(N-Methylacetylamino)-2,4,6-triiodophenyl]oxy]hexanoic acid
- Molecular formula
- C15H18I3NO4
- Molecular weight
- 657.02
Names & synonyms
24340-19-0BRN 27095872-(3-(N-Methylacetamido)-2,4,6-triiodophenoxy)hexanoic acidHEXANOIC ACID, 2-(3-(N-METHYLACETAMIDO)-2,4,6-TRIIODOPHENOXY)-RefChem:347663DTXSID909471772-[2,4,6-triiodo-3-(N-methylacetamido)phenoxy]hexanoic acid2-{3-[Acetyl(methyl)amino]-2,4,6-triiodophenoxy}hexanoic acidHexanoic acid, 2-[3-(acetylmethylamino)-2,4,6-triiodophenoxy]-2-[[3-(N-Methylacetylamino)-2,4,6-triiodophenyl]oxy]hexanoic acid
Database identifiers
- CAS
24340-19-0- PubChem CID
- 32298
- DTXSID
DTXSID90947177- Nikkaji
- J73.719D
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 424
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Compound notes
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