Basic information
- CAS
5729-50-0- Standard SMILES
CC=CC(C=O)c1ccccc1- InChIKey
ATYUEOYJIQYTAG-UHFFFAOYSA-N- Molecular formula
- C11H12O
- Average molar mass
- 160.21 g/mol
- Monoisotopic mass
- 160.088815
Names & identifiers
- Preferred name
- I+/--1-Propen-1-ylbenzeneacetaldehyde
- IUPAC
- 2-phenylpent-3-enal
- English name
- 2-phenylpent-3-enal
- Molecular formula
- C11H12O
- Molecular weight
- 160.21
Names & synonyms
SCHEMBL7995901ATYUEOYJIQYTAG-UHFFFAOYSA-NDTXSID901295613I+/--1-Propen-1-ylbenzeneacetaldehydeNS000479632-phenylpent-3-enalα-(1-Propenyl)benzeneacetaldehydeBenzeneacetaldehyde, α-1-propen-1-yl-
Database identifiers
- CAS
5729-50-0- PubChem CID
- 110700
- DTXSID
DTXSID901295613
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Boiling point
- 247.407 · 247.407±9.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.98 · 0.980±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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