3-Methylbut-3-en-2-one; styrene
Basic information
- CAS
25191-48-4- Standard SMILES
C=C(C)C(C)=O.C=Cc1ccccc1- InChIKey
AIOAIRTXDLRLEG-UHFFFAOYSA-N- Molecular formula
- C13H16O
- Average molar mass
- 188.26 g/mol
- Monoisotopic mass
- 188.12011513
Names & identifiers
- Preferred name
- 3-Methylbut-3-en-2-one; styrene
- IUPAC
- 3-methylbut-3-en-2-one;styrene
Names & synonyms
3-methylbut-3-en-2-one; styrene25191-48-4DTXSID70275006RefChem:281070DTXCID50226455SCHEMBL94592943-Methylbut-3-en-2-one--ethenylbenzene (1/1)
Database identifiers
- CAS
25191-48-4- PubChem CID
- 32835
- DTXSID
DTXSID70275006
Properties
Computed structural properties
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 150
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 3-Buten-2-one, 3-methyl-, polymer with ethenylbenzene
Other Safety InformationIMAP assessments - 3-Buten-2-one, 3-methyl-, polymer with ethenylbenzene: Environment tier I assessment
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…