Basic information
- CAS
65031-11-0- Standard SMILES
Cc1cc(=O)oc2ccc(OCC#N)cc12- InChIKey
CXILJYQPRDESSM-UHFFFAOYSA-N- Molecular formula
- C12H9NO3
- Average molar mass
- 215.2 g/mol
- Monoisotopic mass
- 215.05824315
Names & identifiers
- Preferred name
- [(4-Methyl-2-oxo-2H-1-benzopyran-6-yl)oxy]acetonitrile
- IUPAC
- 2-(4-methyl-2-oxochromen-6-yl)oxyacetonitrile
Names & synonyms
65031-11-02-((4-Methyl-2-oxo-2H-chromen-6-yl)oxy)acetonitrile2-[(4-methyl-2-oxo-2H-chromen-6-yl)oxy]acetonitrile[(4-Methyl-2-oxo-2H-1-benzopyran-6-yl)oxy]acetonitrileDTXSID70495303
Database identifiers
- CAS
65031-11-0- PubChem CID
- 12378830
- DTXSID
DTXSID70495303
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…