Basic information
- CAS
53952-98-0- Standard SMILES
C#CCc1ccccc1C=O- InChIKey
HOEONRAESZJIQP-UHFFFAOYSA-N- Molecular formula
- C10H8O
- Average molar mass
- 144.17 g/mol
- Monoisotopic mass
- 144.05751487
Names & identifiers
- Preferred name
- 2-Prop-2-yn-1-ylbenzaldehyde
- IUPAC
- 2-prop-2-ynylbenzaldehyde
- English name
- Benzaldehyde, 2-(2-propynyl)- (9CI)
- Molecular formula
- C10H8O
- Molecular weight
- 144.17
Names & synonyms
2-prop-2-yn-1-ylbenzaldehyde53952-98-0benzaldehyde, 2-(2-propynyl)-DTXSID50348722RefChem:265514DTXCID40299794InChI=1/C10H8O/c1-2-5-9-6-3-4-7-10(9)8-11/h1,3-4,6-8H,5HBenzaldehyde, 2-(2-propynyl)- (9CI)2-prop-2-ynylbenzaldehydeo-propargylbenzaldehyde2-(PROP-2-YN-1-YL)BENZALDEHYDESCHEMBL28072001
Show more names
Benzaldehyde, 2-(2-propyn-1-yl)-
Database identifiers
- CAS
53952-98-0- PubChem CID
- 640346
- DTXSID
DTXSID50348722- Nikkaji
- J2.874.646F
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Melting point
- 39 °C · 39 °C
- Boiling point
- 223.3 · 223.3±15.0 °C(Predicted)
- Density
- 1.074 · 1.074±0.06 g/cm3(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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