3-Acetyl-4-methoxy-6-methyl-2H-pyran-2-one
Basic information
- CAS
670-28-0- Standard SMILES
COc1cc(C)oc(=O)c1C(C)=O- InChIKey
NMCFALGETPQHTR-UHFFFAOYSA-N- Molecular formula
- C9H10O4
- Average molar mass
- 182.17 g/mol
- Monoisotopic mass
- 182.0579088
Names & identifiers
- Preferred name
- 3-Acetyl-4-methoxy-6-methyl-2H-pyran-2-one
- IUPAC
- 3-acetyl-4-methoxy-6-methylpyran-2-one
Names & synonyms
3-Acetyl-4-methoxy-6-methyl-2H-pyran-2-one670-28-0DTXSID70496572RefChem:276211DTXCID70447382SCHEMBL6415919
Database identifiers
- CAS
670-28-0- PubChem CID
- 12403239
- DTXSID
DTXSID70496572- Nikkaji
- J1.280.074F
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…