Basic information
- CAS
6289-54-9- Standard SMILES
CC=CC(=O)OCCc1ccccc1- InChIKey
DVHGIHSWUYRIPZ-UHFFFAOYSA-N- Molecular formula
- C12H14O2
- Average molar mass
- 190.24 g/mol
- Monoisotopic mass
- 190.09937969
Names & identifiers
- Preferred name
- Phenylethyl-crotonate
- IUPAC
- 2-phenylethyl but-2-enoate
Names & synonyms
phenethyl (E)-crotonatePHENYLETHYL-CROTONATESCHEMBL1845413SCHEMBL27795139DVHGIHSWUYRIPZ-UHFFFAOYSA-N
Database identifiers
- CAS
6289-54-9- PubChem CID
- 95381
- DTXSID
DTXSID8064199
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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