Benzene-1,3-dicarboxylic acid;hexanedioic acid;propane-1,2-diol
Basic information
- CAS
26140-99-8- Standard SMILES
CC(O)CO.O=C(O)CCCCC(=O)O.O=C(O)c1cccc(C(=O)O)c1- InChIKey
PNEVQSQQKNIHQX-UHFFFAOYSA-N- Molecular formula
- C17H24O10
- Average molar mass
- 388.4 g/mol
- Monoisotopic mass
- 388.13694696
Names & identifiers
- Preferred name
- Benzene-1,3-dicarboxylic acid;hexanedioic acid;propane-1,2-diol
- IUPAC
- benzene-1,3-dicarboxylic acid;hexanedioic acid;propane-1,2-diol
- English name
- 1,3-Benzenedicarboxylic acid, polymer with hexanedioic acid and 1,2-propanediol
- Molecular formula
- C17H24O10
- Molecular weight
- 388.37
Names & synonyms
SCHEMBL313593781,3-Benzenedicarboxylic acid, polymer with hexanedioic acid and 1,2-propanediol
Database identifiers
- CAS
26140-99-8- PubChem CID
- 168487
Properties
Computed structural properties
- Topological polar surface area
- 190 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,3-Benzenedicarboxylic acid, polymer with hexanedioic acid and 1,2-propanediol (26140-99-8)
- 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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