Basic information
- CAS
7521-38-2- Standard SMILES
CC(=O)c1c(C)oc(C)cc1=O- InChIKey
JNYSEOXUKHMICE-UHFFFAOYSA-N- Molecular formula
- C9H10O3
- Average molar mass
- 166.17 g/mol
- Monoisotopic mass
- 166.06299418
Names & identifiers
- Preferred name
- 4H-Pyran-4-one, 3-acetyl-2,6-dimethyl-
- IUPAC
- 3-acetyl-2,6-dimethylpyran-4-one
- English name
- 2,6-Dimethyl-3-acetyl-4H-pyran-4-one
- Molecular weight
- 0
Names & synonyms
4H-Pyran-4-one, 3-acetyl-2,6-dimethyl-7521-38-2DTXSID20338458RefChem:297646DTXCID302895433-Acetyl-2,6-dimethyl-4H-pyran-4-oneJNYSEOXUKHMICE-UHFFFAOYSA-N3-Acetyl-2,6-dimethyl-4H-pyran-4-one #DB-1282112,6-Dimethyl-3-acetyl-4H-pyran-4-one
Database identifiers
- CAS
7521-38-2- PubChem CID
- 549211
- DTXSID
DTXSID20338458- Nikkaji
- J100.259G
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 308
Chemistry & industry
Suppliers1 total
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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