Basic information
- CAS
33544-09-1- Standard SMILES
Cc1c(C#N)oc2ccccc2c1=O- InChIKey
VEQYFJSASLNUPK-UHFFFAOYSA-N- Molecular formula
- C11H7NO2
- Average molar mass
- 185.18 g/mol
- Monoisotopic mass
- 185.04767847
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-2-carbonitrile, 3-methyl-4-oxo-
- IUPAC
- 3-methyl-4-oxochromene-2-carbonitrile
Names & synonyms
4H-1-Benzopyran-2-carbonitrile, 3-methyl-4-oxo-BRN 13692773-Methyl-4-oxo-4H-1-benzopyran-2-carbonitrile33544-09-1DTXSID501872195-18-08-00338 (Beilstein Handbook Reference)RefChem:297149DTXCID10109710
Database identifiers
- CAS
33544-09-1- PubChem CID
- 214633
- DTXSID
DTXSID50187219- Nikkaji
- J682.148K
Properties
Computed structural properties
- XLogP
- 1.9
- 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
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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