Basic information
- CAS
71817-25-9- Standard SMILES
COC(=O)C(C(=O)OC)=C1C(=O)OCC1(C)C- InChIKey
CMLQUGKBPMCJQU-UHFFFAOYSA-N- Molecular formula
- C11H14O6
- Average molar mass
- 242.22 g/mol
- Monoisotopic mass
- 242.07903816
Names & identifiers
- Preferred name
- AG-G-81985
- IUPAC
- dimethyl 2-(4,4-dimethyl-2-oxooxolan-3-ylidene)propanedioate
Names & synonyms
71817-25-9DTXSID10316801AG-G-81985RefChem:317422DTXCID50267924Dimethyl 2-(4,4-dimethyl-2-oxodihydrofuran-3(2H)-ylidene)malonateNSC306929NSC-306929Dimethyl (4,4-dimethyl-2-oxooxolan-3-ylidene)propanedioatedimethyl 2-[dihydro-4,4-dimethyl-2-oxofuran-3(2h)-ylidene] malonate
Database identifiers
- CAS
71817-25-9- PubChem CID
- 328482
- DTXSID
DTXSID10316801
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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