Basic information
- CAS
64198-15-8- Standard SMILES
CC(C)C1=CC(=O)OC1=O- InChIKey
QSWLSAYLEATCSH-UHFFFAOYSA-N- Molecular formula
- C7H8O3
- Average molar mass
- 140.14 g/mol
- Monoisotopic mass
- 140.04734411
Names & identifiers
- Preferred name
- 2,5-Furandione, 3-(1-methylethyl)-
- IUPAC
- 3-propan-2-ylfuran-2,5-dione
- English name
- 2,5-Furandione, 3-(1-methylethyl)-
- Molecular formula
- C7H8O3
- Molecular weight
- 140.14
Names & synonyms
64198-15-82,5-Furandione, 3-(1-methylethyl)-DTXSID80334855RefChem:247695DTXCID302859443-ISOPROPYLFURAN-2,5-DIONE3-propan-2-ylfuran-2,5-dione2,5-Furnadione, 3-(1-methylethyl)-isopropylmaleic anhydrideMW9XCJ65A4SCHEMBL32928533-(Propan-2-yl)furan-2,5-dione
Show more names
resmetirom Impurity 63
3-(1-Methylethyl)-2,5-furandioneResmetirom (Mgl-3196) Impurity 62
Database identifiers
- CAS
64198-15-8- PubChem CID
- 522121
- DTXSID
DTXSID80334855- UNII
- MW9XCJ65A4
- Nikkaji
- J2.818.966D
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Boiling point
- 228.2 · 228.2±9.0 °C(Predicted)
- Density
- 1.206 · 1.206±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers5 total
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
上海进取者生物医药科技有限公司19121164345; 1 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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