1,2,4,5-Benzenetetracarboxylic acid, 1,5-diethyl ester
Basic information
- CAS
6862-68-6- Standard SMILES
CCOC(=O)c1cc(C(=O)OCC)c(C(=O)O)cc1C(=O)O- InChIKey
HPHJWHFOBLWKTG-UHFFFAOYSA-N- Molecular formula
- C14H14O8
- Average molar mass
- 310.26 g/mol
- Monoisotopic mass
- 310.0688674
Names & identifiers
- Preferred name
- 1,2,4,5-Benzenetetracarboxylic acid, 1,5-diethyl ester
- IUPAC
- 4,6-bis(ethoxycarbonyl)benzene-1,3-dicarboxylic acid
Names & synonyms
1,2,4,5-Benzenetetracarboxylic acid, 1,5-diethyl ester6862-68-6DTXSID10884338RefChem:410881DTXCID4010237864,6-bis(ethoxycarbonyl)benzene-1,3-dicarboxylic aciddiethyl dihydrogen pyromellitateSCHEMBL7263275
Database identifiers
- CAS
6862-68-6- PubChem CID
- 81302
- DTXSID
DTXSID10884338- Nikkaji
- J1.051.512B
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 418
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2,4,5-Benzenetetracarboxylic acid, 1,5-diethyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…