Basic information
- CAS
823236-21-1- Standard SMILES
COC(=O)c1cc(-c2ccoc2)c2cc(C#N)ccc2c1- InChIKey
SZHFMFYAGJCLQA-UHFFFAOYSA-N- Molecular formula
- C17H11NO3
- Average molar mass
- 277.27 g/mol
- Monoisotopic mass
- 277.07389321
Names & identifiers
- Preferred name
- Methyl 6-cyano-4-(furan-3-yl)naphthalene-2-carboxylate
- IUPAC
- methyl 6-cyano-4-(furan-3-yl)naphthalene-2-carboxylate
Names & synonyms
823236-21-1Methyl 6-cyano-4-(furan-3-yl)naphthalene-2-carboxylateDTXSID80838348DB-402903Methyl 6-cyano-4-(3-furanyl)-2-naphthalenecarboxylate
Database identifiers
- CAS
823236-21-1- PubChem CID
- 71419081
- DTXSID
DTXSID80838348
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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