3-Cyano-6-methylcoumarin
Basic information
- CAS
25816-61-9- Standard SMILES
Cc1ccc2oc(=O)c(C#N)cc2c1- InChIKey
SVMDZCFBKFOYNP-UHFFFAOYSA-N- Molecular formula
- C11H7NO2
- Average molar mass
- 185.18 g/mol
- Monoisotopic mass
- 185.04767847
Names & identifiers
- Preferred name
- 3-Cyano-6-methylcoumarin
- IUPAC
- 6-methyl-2-oxochromene-3-carbonitrile
- English name
- 3-Cyano-6-methylcoumarin
- Molecular formula
- C11H7NO2
- Molecular weight
- 185.18
Names & synonyms
3-CYANO-6-METHYLCOUMARIN25816-61-96-methyl-2-oxochromene-3-carbonitrile6-Methyl-2-oxo-2H-chromene-3-carbonitrileCoumarin-3-carbonitrile, 6-methyl-DTXSID90345336SVMDZCFBKFOYNP-UHFFFAOYSA-NAKOS002679509ST452436126-Methyl-2-oxo-2H-chromene-3-carbonitrile #6-Methyl-2-oxo-2H-1-benzopyran-3-carbonitrile2H-1-Benzopyran-3-carbonitrile, 6-methyl-2-oxo-
Database identifiers
- CAS
25816-61-9- PubChem CID
- 603827
- DTXSID
DTXSID90345336
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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