Basic information
- CAS
6258-45-3- Standard SMILES
COc1cccc(C=C2C(=O)OC(C)(C)OC2=O)c1- InChIKey
UDVFFPCSFPCKQE-UHFFFAOYSA-N- Molecular formula
- C14H14O5
- Average molar mass
- 262.26 g/mol
- Monoisotopic mass
- 262.08412354
Names & identifiers
- Preferred name
- 5-[(3-Methoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
- IUPAC
- 5-[(3-methoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Names & synonyms
NSC6366286258-45-35-[(3-methoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione5-(3-Methoxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dioneDTXSID103271741,3-Dioxane-4,6-dione, 5-[(3-methoxyphenyl)methylene]-2,2-dimethyl-NSC-6366285-[(3-methoxyphenyl)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Database identifiers
- CAS
6258-45-3- PubChem CID
- 367159
- DTXSID
DTXSID10327174- Nikkaji
- J2.505.617E
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 388
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…