Ethyl 3-oxo-2-(2-(2-pyridinyl)ethyl)butanoate
Basic information
- CAS
92041-81-1- Standard SMILES
CCOC(=O)C(CCc1ccccn1)C(C)=O- InChIKey
HXTPGVVMOXURSQ-UHFFFAOYSA-N- Molecular formula
- C13H17NO3
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.1208434
Names & identifiers
- Preferred name
- Ethyl 3-oxo-2-(2-(2-pyridinyl)ethyl)butanoate
- IUPAC
- ethyl 3-oxo-2-(2-pyridin-2-ylethyl)butanoate
Names & synonyms
92041-81-1Ethyl 3-oxo-2-(2-(2-pyridinyl)ethyl)butanoateNSC211469NSC 211469NSC-211469ethyl 3-oxo-2-[2-(2-pyridyl)ethyl]butanoate
Database identifiers
- CAS
92041-81-1- PubChem CID
- 309265
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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