2-Oxopropyl phenylacetate
Basic information
- CAS
5215-63-4- Standard SMILES
CC(=O)COC(=O)Cc1ccccc1- InChIKey
MXZBBLQECZKOBV-UHFFFAOYSA-N- Molecular formula
- C11H12O3
- Average molar mass
- 192.21 g/mol
- Monoisotopic mass
- 192.07864424
Names & identifiers
- Preferred name
- 2-Oxopropyl phenylacetate
- IUPAC
- 2-oxopropyl 2-phenylacetate
Names & synonyms
2-oxopropyl phenylacetate5215-63-4DTXSID60288726RefChem:264964DTXCID40239872NSC57402SCHEMBL3673828NSC-57402Q63409816
Database identifiers
- CAS
5215-63-4- PubChem CID
- 245441
- DTXSID
DTXSID60288726- Nikkaji
- J46.937H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 205
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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