Basic information
- CAS
110238-97-6- Standard SMILES
CCOC(=O)c1cc(C(C)C)cnc1C(=O)OCC- InChIKey
AFLWSWJCZIZPHU-UHFFFAOYSA-N- Molecular formula
- C14H19NO4
- Average molar mass
- 265.3 g/mol
- Monoisotopic mass
- 265.13140809
Names & identifiers
- Preferred name
- Diethyl 5-(propan-2-yl)pyridine-2,3-dicarboxylate
- IUPAC
- diethyl 5-propan-2-ylpyridine-2,3-dicarboxylate
Names & synonyms
110238-97-6Diethyl 5-(propan-2-yl)pyridine-2,3-dicarboxylateDTXSID30555871
Database identifiers
- CAS
110238-97-6- PubChem CID
- 14097635
- DTXSID
DTXSID30555871
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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