Basic information
- CAS
142131-90-6- Standard SMILES
CCC1(c2ccccc2)OC(=O)CC(=O)O1- InChIKey
YXMQIJAHYGYTAQ-UHFFFAOYSA-N- Molecular formula
- C12H12O4
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.07355886
Names & identifiers
- Preferred name
- 1,3-Dioxane-4,6-dione, 2-ethyl-2-phenyl-
- IUPAC
- 2-ethyl-2-phenyl-1,3-dioxane-4,6-dione
Names & synonyms
142131-90-61,3-Dioxane-4,6-dione, 2-ethyl-2-phenyl-DTXSID00341046RefChem:218846DTXCID202921272-Ethyl-2-phenyl-1,3-dioxane-4,6-dione2-Ethyl-2-phenyl-1,3-dioxan-4,6-dionYXMQIJAHYGYTAQ-UHFFFAOYSA-NSY4575322-Ethyl-2-phenyl-1,3-dioxane-4,6-dione #
Database identifiers
- CAS
142131-90-6- PubChem CID
- 569578
- DTXSID
DTXSID00341046
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 275
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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