Dimethyl 7-cyanoindolizine-1,2-dicarboxylate
Basic information
- CAS
58747-63-0- Standard SMILES
COC(=O)c1cn2ccc(C#N)cc2c1C(=O)OC- InChIKey
YNTUYRCKHNFTCB-UHFFFAOYSA-N- Molecular formula
- C13H10N2O4
- Average molar mass
- 258.23 g/mol
- Monoisotopic mass
- 258.0640568
Names & identifiers
- Preferred name
- Dimethyl 7-cyanoindolizine-1,2-dicarboxylate
- IUPAC
- dimethyl 7-cyanoindolizine-1,2-dicarboxylate
Names & synonyms
dimethyl 7-cyanoindolizine-1,2-dicarboxylate58747-63-01,2-DIMETHYL 7-CYANOINDOLIZINE-1,2-DICARBOXYLATENSC234199DTXSID30310907AKOS027427261NSC-234199
Database identifiers
- CAS
58747-63-0- PubChem CID
- 314714
- DTXSID
DTXSID30310907
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 428
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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