Benzene-1,3-dicarboxylic acid;ethane-1,2-diol;hexanedioic acid;nonanedioic acid;terephthalic acid
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Basic information
- CAS
54688-53-8- Standard SMILES
O=C(O)CCCCC(=O)O.O=C(O)CCCCCCCC(=O)O.O=C(O)c1ccc(C(=O)O)cc1.O=C(O)c1cccc(C(=O)O)c1.OCCO- InChIKey
JNYLOJSDQHXPLI-UHFFFAOYSA-N- Molecular formula
- C33H44O18
- Average molar mass
- 728.7 g/mol
- Monoisotopic mass
- 728.25276455
Names & identifiers
- Preferred name
- Benzene-1,3-dicarboxylic acid;ethane-1,2-diol;hexanedioic acid;nonanedioic acid;terephthalic acid
- IUPAC
- benzene-1,3-dicarboxylic acid;ethane-1,2-diol;hexanedioic acid;nonanedioic acid;terephthalic acid
- English name
- Adipic acid, azelaic acid, ethylene glycol, isophthalic acid, terephthalic acid polymer
- Molecular formula
- C33H44O18
- Molecular weight
- 728.69166
Names & synonyms
JNYLOJSDQHXPLI-UHFFFAOYSA-NAdipic acid, azelaic acid, ethylene glycol, isophthalic acid, terephthalic acid polymer1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 1,2-ethanediol, hexanedioic acid and nonanedioic acid
Database identifiers
- CAS
54688-53-8- PubChem CID
- 6453055
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 339 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 18
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 615
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 1,2-ethanediol, hexanedioic acid and nonanedioic acid (54688-53-8)
- 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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