Basic information
- CAS
15506-53-3- Standard SMILES
O=C1CC(=O)C1- InChIKey
PZQGSZRQKQZCOJ-UHFFFAOYSA-N- Molecular formula
- C4H4O2
- Average molar mass
- 84.07 g/mol
- Monoisotopic mass
- 84.02112937
Names & identifiers
- Preferred name
- Cyclobutane-1,3-dione
- IUPAC
- cyclobutane-1,3-dione
- English name
- cyclobutane-1,3-dione
- Molecular formula
- C4H4O2
- Molecular weight
- 84.07
Names & synonyms
Cyclobutane-1,3-dione15506-53-3DTXSID80165803RefChem:334911DTXCID60882941,3-CYCLOBUTANEDIONEMFCD002745281,3 cyclobutanedioneSCHEMBL1431864SCHEMBL2707260SCHEMBL7638036PZQGSZRQKQZCOJ-UHFFFAOYSA-N
Show more names
AKOS017516558SY232868EN300-99425G85564
Database identifiers
- CAS
15506-53-3- PubChem CID
- 27357
- DTXSID
DTXSID80165803- Nikkaji
- J81.869K
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 78.1
Physicochemical properties
- Melting point
- 119 · 119-120 °C
- Boiling point
- 226.9 °C · 226.9°C
- Density
- 1.314 · 1.3140
- refractive index
- 1.4287 · 1.4287 (estimate)
- pka
- 5.97 · 5.97±0.20(Predicted)
Chemistry & industry
Suppliers5 total
上海马氏化学科技有限公司19916721580 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
Related reactions
21 records
Compound notes
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