Basic information
- CAS
892158-83-7- Standard SMILES
CCOC(=O)c1cc(C(=O)c2ccc(OC)cc2)n2cccc(C#N)c12- InChIKey
HBWBLNDQNMOFCU-UHFFFAOYSA-N- Molecular formula
- C20H16N2O4
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.111007
Names & identifiers
- Preferred name
- Ethyl 8-cyano-3-(4-methoxybenzoyl)-1-indolizinecarboxylate
- IUPAC
- ethyl 8-cyano-3-(4-methoxybenzoyl)indolizine-1-carboxylate
- English name
- Ethyl 8-cyano-3-(4-methoxybenzoyl)-1-indolizinecarboxylate
- Molecular formula
- C20H16N2O4
- Molecular weight
- 348.35
Names & synonyms
AKOS024408995ETHYL 8-CYANO-3-(4-METHOXYBENZOYL)-1-INDOLIZINECARBOXYLATE1-Indolizinecarboxylic acid, 8-cyano-3-(4-methoxybenzoyl)-, ethyl ester
Database identifiers
- CAS
892158-83-7- PubChem CID
- 4077333
- EC Number
- 126-874-4
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 576
Physicochemical properties
- Density
- 1.234 · 1.234±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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