4a,8a-Dihydro-4-oxo-2-phenyl-4H-1-benzopyran-3-yl 3-pyridinecarboxylate
Basic information
- CAS
663193-46-2- Standard SMILES
O=C(OC1=C(c2ccccc2)OC2C=CC=CC2C1=O)c1cccnc1- InChIKey
FVEGZJNBYZPPMU-UHFFFAOYSA-N- Molecular formula
- C21H15NO4
- Average molar mass
- 345.3 g/mol
- Monoisotopic mass
- 345.10010796
Names & identifiers
- Preferred name
- 4a,8a-Dihydro-4-oxo-2-phenyl-4H-1-benzopyran-3-yl 3-pyridinecarboxylate
- IUPAC
- (4-oxo-2-phenyl-4a,8a-dihydrochromen-3-yl) pyridine-3-carboxylate
Names & synonyms
663193-46-24a,8a-Dihydro-4-oxo-2-phenyl-4H-1-benzopyran-3-yl 3-pyridinecarboxylateDTXSID101151364AA-504/363920494-oxo-2-phenyl-4a,8a-dihydro-4H-chromen-3-yl nicotinate4-Oxo-2-phenyl-4a,8a-dihydro-4H-1-benzopyran-3-yl pyridine-3-carboxylate
Database identifiers
- CAS
663193-46-2- PubChem CID
- 4080786
- DTXSID
DTXSID101151364
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 657
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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