3-penten-2-one, 4-hydroxy-, (3Z)-
Basic information
- CAS
26567-75-9- Standard SMILES
CC(=O)C=C(C)O- InChIKey
POILWHVDKZOXJZ-UHFFFAOYSA-N- Molecular formula
- C5H8O2
- Average molar mass
- 100.12 g/mol
- Monoisotopic mass
- 100.05242949
Names & identifiers
- Preferred name
- 3-penten-2-one, 4-hydroxy-, (3Z)-
- IUPAC
- 4-hydroxypent-3-en-2-one
Names & synonyms
3-penten-2-one, 4-hydroxy-, (3Z)-4-hydroxypent-3-en-2-oneAcetylacetone, enol formSCHEMBL7781SCHEMBL8478987SCHEMBL8478991SCHEMBL8910442SCHEMBL9182845DTXSID7027461514589-44-7
Database identifiers
- CAS
26567-75-9- PubChem CID
- 18630
- DTXSID
DTXSID70274615
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 103
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
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Compound notes
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