2-(4-Methoxyphenyl)-6-methyl-1,3-dioxin-4-one
Basic information
- CAS
83559-41-5- Standard SMILES
COc1ccc(C2OC(=O)C=C(C)O2)cc1- InChIKey
DSEHSGBGXJJFHU-UHFFFAOYSA-N- Molecular formula
- C12H12O4
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.07355886
Names & identifiers
- Preferred name
- 2-(4-Methoxyphenyl)-6-methyl-1,3-dioxin-4-one
- IUPAC
- 2-(4-methoxyphenyl)-6-methyl-1,3-dioxin-4-one
Names & synonyms
NSC36796083559-41-5DTXSID10321016NSC-367960DS-0053492-(4-Methoxyphenyl)-6-methyl-2H,4H-1,3-dioxin-4-one4H-1,3-DIOXIN-4-ONE,2-(4-METHOXYPHENYL)-6-METHYL-
Database identifiers
- CAS
83559-41-5- PubChem CID
- 339841
- DTXSID
DTXSID10321016
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 289
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