Basic information
- CAS
25214-38-4- Standard SMILES
CC(C)(CO)CO.O=C(O)c1ccc(C(=O)O)cc1.O=C(O)c1cccc(C(=O)O)c1- InChIKey
YMPNIJDQYQSALR-UHFFFAOYSA-N- Molecular formula
- C21H24O10
- Average molar mass
- 436.4 g/mol
- Monoisotopic mass
- 436.13694696
Names & identifiers
- Preferred name
- Benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;terephthalic acid
- IUPAC
- benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;terephthalic acid
- English name
- 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid and 2,2-dimethyl-1,3-propanediol
- Molecular formula
- C21H24O10
- Molecular weight
- 436.41
Names & synonyms
SCHEMBL6690767YMPNIJDQYQSALR-UHFFFAOYSA-N1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid and 2,2-dimethyl-1,3-propanediol
Database identifiers
- CAS
25214-38-4- PubChem CID
- 168331
Properties
Computed structural properties
- Topological polar surface area
- 190 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 393
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid and 2,2-dimethyl-1,3-propanediol (25214-38-4)
- 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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