Basic information
- CAS
21249-80-9- Standard SMILES
COc1oc(OC)c(C)c(=O)c1C- InChIKey
JWUCUBYVJLOHRX-UHFFFAOYSA-N- Molecular formula
- C9H12O4
- Average molar mass
- 184.19 g/mol
- Monoisotopic mass
- 184.07355886
Names & identifiers
- Preferred name
- 2,6-Dimethoxy-3,5-dimethyl-4H-pyran-4-one
- IUPAC
- 2,6-dimethoxy-3,5-dimethylpyran-4-one
Names & synonyms
2,6-Dimethoxy-3,5-dimethyl-4H-pyran-4-one21249-80-9RefChem:248419DTXSID101271491
Database identifiers
- CAS
21249-80-9- PubChem CID
- 12175697
- DTXSID
DTXSID101271491- Nikkaji
- J3.011.220B
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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