Basic information
- CAS
60359-68-4- Standard SMILES
O=C([O-])CCC(=O)OCCOc1ccccc1- InChIKey
QZFAJHYRQCRHGT-UHFFFAOYSA-M- Molecular formula
- C12H13O5-
- Average molar mass
- 237.23 g/mol
- Monoisotopic mass
- 237.07629851
Names & identifiers
- Preferred name
- 4-Oxo-4-(2-phenoxyethoxy)butanoate
- IUPAC
- 4-oxo-4-(2-phenoxyethoxy)butanoate
Names & synonyms
4-Oxo-4-(2-phenoxyethoxy)butanoate60359-68-4DTXSID60601835
Database identifiers
- CAS
60359-68-4- PubChem CID
- 20032383
- DTXSID
DTXSID60601835
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- -1
- Complexity
- 240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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