Basic information
- CAS
591771-59-4- Standard SMILES
C=CC(OC(C)=O)c1ccc(C(C)=O)cc1- InChIKey
KBUNFWLQTYVSBL-UHFFFAOYSA-N- Molecular formula
- C13H14O3
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.0942943
Names & identifiers
- Preferred name
- 1-(4-Acetylphenyl)prop-2-en-1-yl acetate
- IUPAC
- 1-(4-acetylphenyl)prop-2-enyl acetate
Names & synonyms
1-(4-Acetylphenyl)prop-2-en-1-yl acetate591771-59-4DTXSID60787209
Database identifiers
- CAS
591771-59-4- PubChem CID
- 71363697
- DTXSID
DTXSID60787209
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 275
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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