Basic information
- CAS
339177-04-7- Standard SMILES
C=Cc1ccccc1CCC=O- InChIKey
RTPFADXSXZSBAS-UHFFFAOYSA-N- Molecular formula
- C11H12O
- Average molar mass
- 160.21 g/mol
- Monoisotopic mass
- 160.088815
Names & identifiers
- Preferred name
- Benzenepropanal, 2-ethenyl-
- IUPAC
- 3-(2-ethenylphenyl)propanal
Names & synonyms
Benzenepropanal, 2-ethenyl-339177-04-7DTXSID50477167RefChem:325069DTXCID204279773-(2-ethenylphenyl)propanal
Database identifiers
- CAS
339177-04-7- PubChem CID
- 12079268
- DTXSID
DTXSID50477167
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 151
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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