4H-Pyran-4-one, 3-hydroxy-2,6-dimethyl-
Basic information
- CAS
2298-99-9- Standard SMILES
Cc1cc(=O)c(O)c(C)o1- InChIKey
XDEZVFBBUCLCGZ-UHFFFAOYSA-N- Molecular formula
- C7H8O3
- Average molar mass
- 140.14 g/mol
- Monoisotopic mass
- 140.04734411
Names & identifiers
- Preferred name
- 4H-Pyran-4-one, 3-hydroxy-2,6-dimethyl-
- IUPAC
- 3-hydroxy-2,6-dimethylpyran-4-one
- English name
- 2,6-Dimethyl-5-hydroxy-4H-pyran-4-one
- Molecular formula
- C7H8O3
- Molecular weight
- 140.14
Names & synonyms
2298-99-94H-Pyran-4-one, 3-hydroxy-2,6-dimethyl-DTXSID80879099RefChem:297647DTXCID2010171173-Hydroxy-2,6-dimethyl-4H-pyran-4-one2,6-dimethyl-3-hydroxy-4H-pyran-4-oneNSC207564H-Pyran-4-one,3-hydroxy-2,6-dimethyl-CHEMBL122155SCHEMBL2590278XDEZVFBBUCLCGZ-UHFFFAOYSA-N
Show more names
2,6-Dimethyl-5-hydroxy-4H-pyran-4-one
NSC-20756DS-0053873-Hydroxy-2,6-dimethyl-4H-pyran-4-one #
Database identifiers
- CAS
2298-99-9- PubChem CID
- 228129
- DTXSID
DTXSID80879099- ChEMBL
CHEMBL122155- Nikkaji
- J110.555H
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Melting point
- 165 · 165-166 °C
- Boiling point
- 283.7 · 283.7±40.0 °C(Predicted)
- Density
- 1.256 · 1.256±0.06 g/cm3(Predicted)
- pka
- 8.56 · 8.56±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
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Compound notes
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