Benzene-1,4-dicarboxylic acid--1,1'-[propane-2,2-diylbis(4,1-phenyleneoxy)]di(propan-2-ol) (1/1)
Basic information
- CAS
168456-95-9- Standard SMILES
CC(O)COc1ccc(C(C)(C)c2ccc(OCC(C)O)cc2)cc1.O=C(O)c1ccc(C(=O)O)cc1- InChIKey
YHRGLMUSBZIARA-UHFFFAOYSA-N- Molecular formula
- C29H34O8
- Average molar mass
- 510.6 g/mol
- Monoisotopic mass
- 510.22536804
Names & identifiers
- Preferred name
- Benzene-1,4-dicarboxylic acid--1,1'-[propane-2,2-diylbis(4,1-phenyleneoxy)]di(propan-2-ol) (1/1)
- IUPAC
- 1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol;terephthalic acid
Names & synonyms
DTXSID30937496Benzene-1,4-dicarboxylic acid--1,1'-[propane-2,2-diylbis(4,1-phenyleneoxy)]di(propan-2-ol) (1/1)Benzene-1,4-dicarboxylic acid--1,1'-{propane-2,2-diylbis[(4,1-phenylene)oxy]}di(propan-2-ol) (1/1)
Database identifiers
- CAS
168456-95-9- PubChem CID
- 44149488
- DTXSID
DTXSID30937496
Properties
Computed structural properties
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 503
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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