Basic information
- CAS
108149-59-3- Standard SMILES
CCCCCCCCCc1ccc(OCCOCCOCC(=O)O)cc1- InChIKey
JYQIQTZWGQBTGK-UHFFFAOYSA-N- Molecular formula
- C21H34O5
- Average molar mass
- 366.5 g/mol
- Monoisotopic mass
- 366.24062418
Names & identifiers
- Preferred name
- Acetic acid, (2-(2-(4-nonylphenoxy)ethoxy)ethoxy)-
- IUPAC
- 2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]acetic acid
Names & synonyms
108149-59-3(2-(2-(4-Nonylphenoxy)ethoxy)ethoxy)acetic acid{2-[2-(4-nonylphenoxy)ethoxy]ethoxy}acetic acidAcetic acid, (2-(2-(4-nonylphenoxy)ethoxy)ethoxy)-NP2EC2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]acetic acidNonylphenol-2-ethoxy carboxylateDTXSID001484364-nonylphenoxy diethoxy acetic acid (NP3EC)NS00098414
Database identifiers
- CAS
108149-59-3- PubChem CID
- 86284
- DTXSID
DTXSID00148436- Nikkaji
- J592.109K
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 17
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 326
Experimental & physicochemical properties
SurfactantsSurfactant -> linear alkylbenzyl sulfonate (LAS)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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