Acetic acid, (3-(hexyloxy)-2,4,6-triiodophenoxy)-
Basic information
- CAS
92249-65-5- Standard SMILES
CCCCCCOc1c(I)cc(I)c(OCC(=O)O)c1I- InChIKey
KTHJPOKJLRUDMA-UHFFFAOYSA-N- Molecular formula
- C14H17I3O4
- Average molar mass
- 629.99 g/mol
- Monoisotopic mass
- 629.8261
Names & identifiers
- Preferred name
- Acetic acid, (3-(hexyloxy)-2,4,6-triiodophenoxy)-
- IUPAC
- 2-(3-hexoxy-2,4,6-triiodophenoxy)acetic acid
Names & synonyms
BRN 2543239ACETIC ACID, (3-(HEXYLOXY)-2,4,6-TRIIODOPHENOXY)-(3-(Hexyloxy)-2,4,6-triiodophenoxy)acetic acid92249-65-5DTXSID70238934[3-(Hexyloxy)-2,4,6-triiodophenoxy]acetic acidRefChem:316179DTXCID20161425
Database identifiers
- CAS
92249-65-5- PubChem CID
- 56368
- DTXSID
DTXSID70238934
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 317
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