Basic information
- CAS
2293-61-0- Standard SMILES
CCOC(=O)CC(O)(CC)c1ccccc1- InChIKey
WKBGTIFZVCWOHH-UHFFFAOYSA-N- Molecular formula
- C13H18O3
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.12559443
Names & identifiers
- Preferred name
- Ethyl 3-hydroxy-3-phenylpentanoate
- IUPAC
- ethyl 3-hydroxy-3-phenylpentanoate
Names & synonyms
NSC 407769ethyl 3-hydroxy-3-phenylpentanoateNSC407769DTXSID10324825AKOS011683340NSC-407769
Database identifiers
- CAS
2293-61-0- PubChem CID
- 348463
- DTXSID
DTXSID10324825- Nikkaji
- J1.868.740B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 221
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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