Basic information
- CAS
893754-99-9- Standard SMILES
COCCOC(=O)C(C#N)=Cc1ccc(F)cc1- InChIKey
MVFKCUMGWXUKAT-UHFFFAOYSA-N- Molecular formula
- C13H12FNO3
- Average molar mass
- 249.24 g/mol
- Monoisotopic mass
- 249.08012141
Names & identifiers
- Preferred name
- 2-Methoxyethyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate
- IUPAC
- 2-methoxyethyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate
Names & synonyms
2-methoxyethyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate2-Methoxyethyl 2-cyano-3-(4-fluorophenyl)-2-propenoateDTXSID501208723AKOS003594686893754-99-9
Database identifiers
- CAS
893754-99-9- PubChem CID
- 4778436
- DTXSID
DTXSID501208723
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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