4-Acetylphenyl butanoate
Basic information
- CAS
75305-82-7- Standard SMILES
CCCC(=O)Oc1ccc(C(C)=O)cc1- InChIKey
RYTHEBVKPXYWPM-UHFFFAOYSA-N- Molecular formula
- C12H14O3
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.0942943
Names & identifiers
- Preferred name
- 4-Acetylphenyl butanoate
- IUPAC
- (4-acetylphenyl) butanoate
Names & synonyms
4-acetylphenyl butanoate75305-82-7DTXSID90284059RefChem:289660DTXCID60235210NSC35278p-(butyryloxy)-acetophenoneSCHEMBL11375092NSC-35278AKOS003054850
Database identifiers
- CAS
75305-82-7- PubChem CID
- 234763
- DTXSID
DTXSID90284059
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
- 15
- Formal charge
- 0
- Complexity
- 227
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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