Basic information
- CAS
681274-80-6- Standard SMILES
CCOC(=O)c1cc2ccccn2c1C(C)=O- InChIKey
SUESSGNCWOVHJO-UHFFFAOYSA-N- Molecular formula
- C13H13NO3
- Average molar mass
- 231.25 g/mol
- Monoisotopic mass
- 231.08954328
Names & identifiers
- Preferred name
- Ethyl 3-acetylindolizine-2-carboxylate
- IUPAC
- ethyl 3-acetylindolizine-2-carboxylate
Names & synonyms
Ethyl 3-acetylindolizine-2-carboxylate681274-80-6SCHEMBL17331983DTXSID20790633SUESSGNCWOVHJO-UHFFFAOYSA-N
Database identifiers
- CAS
681274-80-6- PubChem CID
- 71367516
- DTXSID
DTXSID20790633
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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