5-((Furan-2-yl)methyl)-2,2-dimethyl-1,3-dioxane-4,6-dione
Basic information
- CAS
72651-97-9- Standard SMILES
CC1(C)OC(=O)C(Cc2ccco2)C(=O)O1- InChIKey
ODIYMZNWNQSSBX-UHFFFAOYSA-N- Molecular formula
- C11H12O5
- Average molar mass
- 224.21 g/mol
- Monoisotopic mass
- 224.06847348
Names & identifiers
- Preferred name
- 5-((Furan-2-yl)methyl)-2,2-dimethyl-1,3-dioxane-4,6-dione
- IUPAC
- 5-(furan-2-ylmethyl)-2,2-dimethyl-1,3-dioxane-4,6-dione
- English name
- 5-(2-furylmethyl)-2,2-dimethyl-1,3-dioxane-4,6-dione
- Molecular formula
- C11H12O5
- Molecular weight
- 224.21
Names & synonyms
DTXSID403173465-[(Furan-2-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione5-((Furan-2-yl)methyl)-2,2-dimethyl-1,3-dioxane-4,6-dioneRefChem:1072323DTXCID8026846972651-97-95-(2-FURYLMETHYL)-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONE1,3-Dioxane-4,6-dione,5-(2-furanylmethyl)-2,2-dimethyl-NSC3148665-(furan-2-ylmethyl)-2,2-dimethyl-1,3-dioxane-4,6-dioneCBDivE_000905SCHEMBL31686954
Show more names
1,3-Dioxane-4,6-dione, 5-(2-furanylmethyl)-2,2-dimethyl-
AKOS024411861NSC-314866
Database identifiers
- CAS
72651-97-9- PubChem CID
- 329856
- DTXSID
DTXSID40317346- EC Number
- 131-587-2
- Nikkaji
- J585.972G
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 289
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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