Basic information
- CAS
72894-17-8- Standard SMILES
CCOC(=O)C1C(=O)C(=O)C(C)(C(=O)OCC)C1C- InChIKey
GUKROTILZBCYNM-UHFFFAOYSA-N- Molecular formula
- C13H18O6
- Average molar mass
- 270.28 g/mol
- Monoisotopic mass
- 270.11033829
Names & identifiers
- Preferred name
- 1,3-Cyclopentanedicarboxylic acid, 1,2-dimethyl-4,5-dioxo-, 1,3-diethyl ester
- IUPAC
- diethyl 1,2-dimethyl-4,5-dioxocyclopentane-1,3-dicarboxylate
- English name
- 1,2-Dimethyl-4,5-dioxo-1,3-cyclopentanedicarboxylic acid diethyl ester
- Molecular formula
- C13H18O6
- Molecular weight
- 270.28
Names & synonyms
72894-17-81,3-Cyclopentanedicarboxylic acid, 1,2-dimethyl-4,5-dioxo-, diethyl esterDTXSID308882321,3-Cyclopentanedicarboxylic acid, 1,2-dimethyl-4,5-dioxo-, 1,3-diethyl ester1,3-Cyclopentanedicarboxylic acid, 4,5-dioxo-1,2-dimethyl-, diethyl esterRefChem:414184DTXCID001027512diethyl 1,2-dimethyl-4,5-dioxocyclopentane-1,3-dicarboxylateGUKROTILZBCYNM-UHFFFAOYSA-N1,2-Dimethyl-4,5-dioxo-1,3-cyclopentanedicarboxylic acid diethyl ester
Database identifiers
- CAS
72894-17-8- PubChem CID
- 175232
- DTXSID
DTXSID30888232- Nikkaji
- J447.240C
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 427
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,3-Cyclopentanedicarboxylic acid, 1,2-dimethyl-4,5-dioxo-, diethyl ester (72894-17-8)
- 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.
Hazard information
Regulatory InformationChemical: 1,3-Cyclopentanedicarboxylic acid, 1,2-dimethyl-4,5-dioxo-,diethyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Cyclopentanedicarboxylic acid, 1,2-dimethyl-4,5-dioxo-, 1,3-diethyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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