Basic information
- CAS
77269-24-0- Standard SMILES
CC(=O)CC=CCO- InChIKey
FTVFXYGLWMMFJH-UHFFFAOYSA-N- Molecular formula
- C6H10O2
- Average molar mass
- 114.14 g/mol
- Monoisotopic mass
- 114.06807956
Names & identifiers
- Preferred name
- CID 53435948
- IUPAC
- 6-hydroxyhex-4-en-2-one
- English name
- 4-Hexen-2-one, 6-hydroxy- (9CI)
- Molecular formula
- C6H10O2
- Molecular weight
- 114.14
Names & synonyms
77269-24-0DTXSID107008274-HEXEN-2-ONE, 6-HYDROXY-DB-2724004-Hexen-2-one, 6-hydroxy- (9CI)
Database identifiers
- CAS
77269-24-0- PubChem CID
- 53435948
- DTXSID
DTXSID10700827
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 94.7
Physicochemical properties
- Boiling point
- 230.438 · 230.438±20.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.986 · 0.986±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.411 · 14.411±0.10(predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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