Basic information
- CAS
7447-67-8- Standard SMILES
O=C(O)c1ccccc1C(=O)OCCOCCOC(=O)c1ccccc1C(=O)O- InChIKey
IGAGCCZDUSWYGQ-UHFFFAOYSA-N- Molecular formula
- C20H18O9
- Average molar mass
- 402.4 g/mol
- Monoisotopic mass
- 402.09508215
Names & identifiers
- Preferred name
- Diethylene glycol phthalate
- IUPAC
- 2-[2-[2-(2-carboxybenzoyl)oxyethoxy]ethoxycarbonyl]benzoic acid
Names & synonyms
Diethylene glycol phthalateOxydi-2,1-ethanediyl 1,2-benzenedicarboxylate1,2-Benzenedicarboxylic acid, oxydi-2,1-ethanediyl esterRefChem:5873832,2'-[oxybis(ethane-2,1-diyloxycarbonyl)]dibenzoic acid7447-67-82-[2-[2-(2-carboxybenzoyl)oxyethoxy]ethoxycarbonyl]benzoic acidDTXSID609959832-({2-[2-(2-carboxybenzoyloxy)ethoxy]ethoxy}carbonyl)benzoic acidAKOS030228014AS-698982,2'-{Oxybis[(ethane-2,1-diyl)oxycarbonyl]}dibenzoic acid
Database identifiers
- CAS
7447-67-8- PubChem CID
- 98536
- DTXSID
DTXSID60995983
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 539
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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