Basic information
- Standard SMILES
O=C(O)c1ccc(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1- InChIKey
JSDMFSYHQMGPSQ-UHFFFAOYSA-N- Molecular formula
- C27H46O12
- Average molar mass
- 562.6 g/mol
Names & identifiers
- Preferred name
- Nonaethyleneglycol(4-carboxybenzyl)methyl ether
- IUPAC
- 4-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzoic acid
Names & synonyms
SCHEMBL6845973JSDMFSYHQMGPSQ-UHFFFAOYSA-Nnonaethyleneglycol(4-carboxybenzyl)methyl ether
Database identifiers
- PubChem CID
- 23501906
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 30
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 517
Related reactions
2 records
Compound notes
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