3-Cyano-4-ethyl-6-methylcoumarin
Basic information
- Standard SMILES
CCc1c(C#N)c(=O)oc2ccc(C)cc12- InChIKey
IERFIFFZNPLCNQ-UHFFFAOYSA-N- Molecular formula
- C13H11NO2
- Average molar mass
- 213.23 g/mol
- Monoisotopic mass
- 213.07897859
Names & identifiers
- Preferred name
- 3-Cyano-4-ethyl-6-methylcoumarin
- IUPAC
- 4-ethyl-6-methyl-2-oxochromene-3-carbonitrile
Names & synonyms
25937-11-54-Ethyl-6-methyl-2-oxo-2H-chromene-3-carbonitrile3-CYANO-4-ETHYL-6-METHYLCOUMARIN4-ethyl-6-methyl-2-oxochromene-3-carbonitrileIERFIFFZNPLCNQ-UHFFFAOYSA-NDTXSID901372128ABA93711ST503089043-Cyano-4-ethyl-6-methylcoumarin, AldrichCPR2H-1-Benzopyran-3-carbonitrile, 4-ethyl-6-methyl-2-oxo-
Database identifiers
- PubChem CID
- 688737
- DTXSID
DTXSID901372128
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 388
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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