2,2-Dimethyl-4-oxo-6-methoxybenzo-1,3-dioxin
Basic information
- CAS
82944-21-6- Standard SMILES
COc1ccc2c(c1)C(=O)OC(C)(C)O2- InChIKey
FPXYFNJIMKQVID-UHFFFAOYSA-N- Molecular formula
- C11H12O4
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.07355886
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2,2-Dimethyl-4-oxo-6-methoxybenzo-1,3-dioxin
- IUPAC
- 6-methoxy-2,2-dimethyl-1,3-benzodioxin-4-one
- English name
- 2,2-dimethyl-4-oxo-6-methoxybenzo-1,3-dioxin
- Molecular weight
- 0
Names & synonyms
82944-21-6DOMBD2,2-Dimethyl-4-oxo-6-methoxybenzo-1,3-dioxinDTXSID70232093RefChem:81065DTXCID701545846-Methoxy-2,2-dimethyl-4H-benzo[d][1,3]dioxin-4-one6-Methoxy-2,2-dimethyl-4H-1,3-benzodioxin-4-oneSCHEMBL31217566SY3316484H-1,3-Benzodioxin-4-one, 6-methoxy-2,2-dimethyl-6-Methoxy-2,2-dimethyl-2H,4H-1,3-benzodioxin-4-one
Database identifiers
- CAS
82944-21-6- PubChem CID
- 134124
- DTXSID
DTXSID70232093- Nikkaji
- J414.083D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 261
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Related reactions
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Compound notes
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