Basic information
- CAS
25085-65-8- Standard SMILES
CC(C)C(O)C(C)(C)CO.O=C1C=CC(=O)O1- InChIKey
MAEZZXANDAUHKA-UHFFFAOYSA-N- Molecular formula
- C12H20O5
- Average molar mass
- 244.28 g/mol
- Monoisotopic mass
- 244.13107373
Names & identifiers
- Preferred name
- Furan-2,5-dione--2,2,4-trimethylpentane-1,3-diol (1/1)
- IUPAC
- furan-2,5-dione;2,2,4-trimethylpentane-1,3-diol
- English name
- 2,5-Furandione, polymer with 2,2,4-trimethyl-1,3-pentanediol
- Molecular formula
- C12H20O5
- Molecular weight
- 244.2842
Names & synonyms
SCHEMBL9267887DTXSID00947946Furan-2,5-dione--2,2,4-trimethylpentane-1,3-diol (1/1)2,5-Furandione, polymer with 2,2,4-trimethyl-1,3-pentanediol
Database identifiers
- CAS
25085-65-8- PubChem CID
- 168280
- DTXSID
DTXSID00947946
Properties
Computed structural properties
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- EPA Substance Registry System
- 2 · 2,5-Furandione, polymer with 2,2,4-trimethyl-1,3-pentanediol (25085-65-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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