Acetic acid, (3-(N-propylacetamido)-2,4,6-triiodophenoxy)-
Basic information
- CAS
24340-10-1- Standard SMILES
CCCN(C(C)=O)c1c(I)cc(I)c(OCC(=O)O)c1I- InChIKey
YYNCKHPUJKLFIS-UHFFFAOYSA-N- Molecular formula
- C13H14I3NO4
- Average molar mass
- 628.97 g/mol
- Monoisotopic mass
- 628.8057
Names & identifiers
- Preferred name
- Acetic acid, (3-(N-propylacetamido)-2,4,6-triiodophenoxy)-
- IUPAC
- 2-[3-[acetyl(propyl)amino]-2,4,6-triiodophenoxy]acetic acid
- English name
- [3-(N-Propyl-N-acetylamino)-2,4,6-triiodophenoxy]acetic acid
- Molecular formula
- C13H14I3NO4
- Molecular weight
- 628.97
Names & synonyms
BRN 267341324340-10-1ACETIC ACID, (3-(N-PROPYLACETAMIDO)-2,4,6-TRIIODOPHENOXY)-(3-(N-Propylacetamido)-2,4,6-triiodophenoxy)acetic acidDTXSID90179077RefChem:316191DTXCID20101568[2,4,6-Triiodo-3-(N-propylacetamido)phenoxy]acetic acidAcetic acid, 2-[3-(acetylpropylamino)-2,4,6-triiodophenoxy]-[3-(N-Propyl-N-acetylamino)-2,4,6-triiodophenoxy]acetic acid
Database identifiers
- CAS
24340-10-1- PubChem CID
- 32294
- DTXSID
DTXSID90179077- Nikkaji
- J86.281I
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 382
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Compound notes
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