Basic information
- CAS
68630-87-5- Standard SMILES
O=C(O)CCCCCCCC(=O)O.O=C(O)c1cccc(C(=O)O)c1.OCCO.OCCOCCO- InChIKey
WIWMXGGOKBITEU-UHFFFAOYSA-N- Molecular formula
- C23H38O13
- Average molar mass
- 522.5 g/mol
Names & identifiers
- Preferred name
- Benzene-1,3-dicarboxylic acid;ethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;nonanedioic acid
- IUPAC
- benzene-1,3-dicarboxylic acid;ethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;nonanedioic acid
- English name
- 1,3-Benzenedicarboxylic acid, polymer with 1,2-ethanediol, nonanedioic acid and 2,2'-oxybis [ethanol]
- Molecular formula
- C23H38O13
- Molecular weight
- 522.54002
Names & synonyms
WIWMXGGOKBITEU-UHFFFAOYSA-NIsophthalic acid, azelaic acid, diethylene glycol, ethylene glycol polymer1,3-Benzenedicarboxylic acid, polymer with 1,2-ethanediol, nonanedioic acid and 2,2'-oxybis [ethanol]
Database identifiers
- CAS
68630-87-5
Properties
Computed structural properties
- Topological polar surface area
- 239 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 15
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 358
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,3-Benzenedicarboxylic acid, polymer with 1,2-ethanediol, nonanedioic acid and 2,2'-oxybis[ethanol] (68630-87-5)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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