Basic information
- CAS
94089-25-5- Standard SMILES
CCOC(=O)C(CCC(C)=O)C(=O)c1ccncc1- InChIKey
KZAOHLKSKIFDCS-UHFFFAOYSA-N- Molecular formula
- C14H17NO4
- Average molar mass
- 263.29 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-(isonicotinoyl)-5-oxohexanoate
- IUPAC
- ethyl 5-oxo-2-(pyridine-4-carbonyl)hexanoate
Names & synonyms
SCHEMBL11395291KZAOHLKSKIFDCS-UHFFFAOYSA-Nethyl 2-(isonicotinoyl)-5-oxohexanoateethyl 5-oxo-2-[(4-pyridinyl)carbonyl]hexanoateethyl 5-oxo-2-[(4-pyridinyl)-carbonyl]hexanoate
Database identifiers
- CAS
94089-25-5- PubChem CID
- 9835014
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 334
Related reactions
10 records
Compound notes
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