Basic information
- CAS
61784-53-0- Standard SMILES
CC1C(=O)C=CC1O- InChIKey
YBOSXQPPIAJHBR-UHFFFAOYSA-N- Molecular formula
- C6H8O2
- Average molar mass
- 112.13 g/mol
- Monoisotopic mass
- 112.05242949
Names & identifiers
- Preferred name
- 4-Hydroxy-5-methylcyclopent-2-en-1-one
- IUPAC
- 4-hydroxy-5-methylcyclopent-2-en-1-one
- English name
- 2-Cyclopenten-1-one, 4-hydroxy-5-methyl-
- Molecular formula
- C6H8O2
- Molecular weight
- 112.13
Names & synonyms
4-Hydroxy-5-methylcyclopent-2-en-1-one61784-53-0DTXSID10516006RefChem:293320DTXCID90466813SCHEMBL103858972-Cyclopenten-1-one, 4-hydroxy-5-methyl-
Database identifiers
- CAS
61784-53-0- PubChem CID
- 13037814
- DTXSID
DTXSID10516006
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 137
Physicochemical properties
- Boiling point
- 235.7 · 235.7±39.0 °C(Predicted)
- Density
- 1.174 · 1.174±0.06 g/cm3(Predicted)
- pka
- 12.97 · 12.97±0.40(Predicted)
Chemistry & industry
Suppliers4 total
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
骓慕化学（天津）有限公司13116033143 17602663561 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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