1-(2a,7b-Dihydro-2a,7b-dimethyl-1,2-dioxeto(3,4-b)benzofuran-5-yl)ethanone
Basic information
- CAS
130293-26-4- Standard SMILES
CC(=O)c1ccc2c(c1)OC1(C)OOC21C- InChIKey
VYBFEOATQNOTCW-UHFFFAOYSA-N- Molecular formula
- C12H12O4
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.07355886
Names & identifiers
- Preferred name
- 1-(2a,7b-Dihydro-2a,7b-dimethyl-1,2-dioxeto(3,4-b)benzofuran-5-yl)ethanone
- IUPAC
- 1-(2a,7b-dimethyldioxeto[3,4-b][1]benzofuran-5-yl)ethanone
- English name
- 1-(2a,7b-Dihydro-2a,7b-dimethyl-1,2-dioxeto(3,4-b)benzofuran-5-yl)etha none
- Molecular formula
- C12H12O4
- Molecular weight
- 220.22
Names & synonyms
130293-26-41-(2a,7b-Dihydro-2a,7b-dimethyl-1,2-dioxeto(3,4-b)benzofuran-5-yl)ethanoneRefChem:2239011-(2a,7b-dimethyldioxeto[3,4-b][1]benzofuran-5-yl)ethanoneDTXSID609266711-(2a,7b-Dihydro-2a,7b-dimethyl-1,2-dioxeto(3,4-b)benzofuran-5-yl)etha none1-(2a,7b-Dimethyl-2a,7b-dihydro[1,2]dioxeto[3,4-b][1]benzofuran-5-yl)ethan-1-oneEthanone, 1-(2a,7b-dihydro-2a,7b-dimethyl-1,2-dioxeto[3,4-b]benzofuran-5-yl)-
Database identifiers
- CAS
130293-26-4- PubChem CID
- 148173
- DTXSID
DTXSID60926671- Nikkaji
- J536.031E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 342
Physicochemical properties
- Boiling point
- 317.4 · 317.4±42.0 °C(Predicted)
- Density
- 1.301 · 1.301±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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