3-Acetyl-5,5-dimethyl-2,4(3H,5H)-furandione
Basic information
- CAS
22884-84-0- Standard SMILES
CC(=O)C1C(=O)OC(C)(C)C1=O- InChIKey
ZIUVMQMEZATRLE-UHFFFAOYSA-N- Molecular formula
- C8H10O4
- Average molar mass
- 170.16 g/mol
- Monoisotopic mass
- 170.0579088
Names & identifiers
- Preferred name
- 3-Acetyl-5,5-dimethyl-2,4(3H,5H)-furandione
- IUPAC
- 3-acetyl-5,5-dimethyloxolane-2,4-dione
- English name
- 3-Acetyl-5,5-dimethyl-2,4(3H,5H)-furandione
- Molecular formula
- C8H10O4
- Molecular weight
- 170.16
Names & synonyms
3-Acetyl-5,5-dimethyl-2,4(3H,5H)-furandione22884-84-0DTXSID10339757RefChem:276216DTXCID502908383-acetyl-5,5-dimethyloxolane-2,4-dione2,4(3H,5H)-Furandione, 3-acetyl-5,5-dimethyl-SCHEMBL5924541ZIUVMQMEZATRLE-UHFFFAOYSA-N3-Acetyl-5,5-dimethyl-2,4(3H,5H)-furandione #
Database identifiers
- CAS
22884-84-0- PubChem CID
- 558453
- DTXSID
DTXSID10339757- Nikkaji
- J102.339J
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Melting point
- 64 · 64-65 °C
- Boiling point
- 108 · 108-110 °C(Press: 12 Torr)
- Density
- 1.194 · 1.194±0.06 g/cm3(Predicted)
- pka
- 6.99 · 6.99±0.40(Predicted)
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Related reactions
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Compound notes
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