3-(Morpholine-4-carbonyl)-8-nitrochromen-2-one
Basic information
- CAS
201481-08-5- Standard SMILES
O=C(c1cc2cccc([N+](=O)[O-])c2oc1=O)N1CCOCC1- InChIKey
UCRXKQPSBWIFDW-UHFFFAOYSA-N- Molecular formula
- C14H12N2O6
- Average molar mass
- 304.25 g/mol
- Monoisotopic mass
- 304.06953611
Names & identifiers
- Preferred name
- 3-(Morpholine-4-carbonyl)-8-nitrochromen-2-one
- IUPAC
- 3-(morpholine-4-carbonyl)-8-nitrochromen-2-one
Names & synonyms
3-(morpholine-4-carbonyl)-8-nitrochromen-2-one201481-08-5Oprea1_108193MLS001047220CHEMBL1398912DTXSID801328380HMS2790D11STK527913AKOS005461100SMR0004275523-(Morpholine-4-carbonyl)-8-nitro-chromen-2-one3-(morpholin-4-ylcarbonyl)-8-nitro-2H-chromen-2-one
Show more names
3-(morpholine-4-carbonyl)-8-nitro-2H-chromen-2-one3-(Morpholine-4-carbonyl)-8-nitro-2H-1-benzopyran-2-one
Database identifiers
- CAS
201481-08-5- PubChem CID
- 677564
- DTXSID
DTXSID801328380- ChEMBL
CHEMBL1398912
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 520
Experimental & physicochemical properties
Solubility40.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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