3-Pyridinecarboxylic acid,2-ethoxy-2-oxoethyl ester
Basic information
- CAS
1208-24-8- Standard SMILES
CCOC(=O)COC(=O)c1cccnc1- InChIKey
YUUIEDSBFGGALC-UHFFFAOYSA-N- Molecular formula
- C10H11NO4
- Average molar mass
- 209.2 g/mol
- Monoisotopic mass
- 209.06880783
Names & identifiers
- Preferred name
- 3-Pyridinecarboxylic acid,2-ethoxy-2-oxoethyl ester
- IUPAC
- (2-ethoxy-2-oxoethyl) pyridine-3-carboxylate
Names & synonyms
1208-24-83-pyridinecarboxylic acid,2-ethoxy-2-oxoethyl esterDTXSID9012699312-Ethoxy-2-oxoethyl 3-pyridinecarboxylate2-Ethoxy-2-oxoethyl pyridine-3-carboxylate
Database identifiers
- CAS
1208-24-8- PubChem CID
- 3385995
- DTXSID
DTXSID901269931- Nikkaji
- J3.169.583J
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 229
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…