4,4'-[1,4-Phenylenebis(carbonyloxybutane-4,1-diyloxycarbonyl)]dibenzoic acid
Basic information
- CAS
66885-76-5- Standard SMILES
O=C(O)c1ccc(C(=O)OCCCCOC(=O)c2ccc(C(=O)OCCCCOC(=O)c3ccc(C(=O)O)cc3)cc2)cc1- InChIKey
BHMFRRBMONBZNQ-UHFFFAOYSA-N- Molecular formula
- C32H30O12
- Average molar mass
- 606.6 g/mol
- Monoisotopic mass
- 606.17372639
Names & identifiers
- Preferred name
- 4,4'-[1,4-Phenylenebis(carbonyloxybutane-4,1-diyloxycarbonyl)]dibenzoic acid
- IUPAC
- 4-[4-[4-[4-(4-carboxybenzoyl)oxybutoxycarbonyl]benzoyl]oxybutoxycarbonyl]benzoic acid
- English name
- 1,4-Benzenedicarboxylic acid, bis[4-[(4-carboxybenzoyl)oxy]butyl] ester
- Molecular formula
- C32H30O12
- Molecular weight
- 606.5734
Names & synonyms
66885-76-51,4-Bis[4-[(4-carboxybenzoyl)oxy]butyl] 1,4-benzenedicarboxylate4,4'-[1,4-Phenylenebis(carbonyloxybutane-4,1-diyloxycarbonyl)]dibenzoic acidL[TPA+BD]2+TPASCHEMBL12799479DTXSID20732215H651241,4-Benzenedicarboxylic acid, bis[4-[(4-carboxybenzoyl)oxy]butyl] ester
Database identifiers
- CAS
66885-76-5- PubChem CID
- 59510331
- DTXSID
DTXSID20732215
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 180 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 20
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 892
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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