Basic information
- Standard SMILES
CCOC(=O)c1ccc(COC(C)=O)nc1- InChIKey
KPBRNERQTDSEJC-UHFFFAOYSA-N- Molecular formula
- C11H13NO4
- Average molar mass
- 223.22 g/mol
- Monoisotopic mass
- 223.0844579
Names & identifiers
- Preferred name
- Ethyl 6-acetoxymethylnicotinate
- IUPAC
- ethyl 6-(acetyloxymethyl)pyridine-3-carboxylate
Names & synonyms
ethyl 6-acetoxymethylnicotinateSCHEMBL9527654KPBRNERQTDSEJC-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 15045503
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 254
Related reactions
3 records
Compound notes
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