Basic information
- CAS
33544-11-5- Standard SMILES
COc1cccc2oc(C#N)cc(=O)c12- InChIKey
BMVQNVITYXDTLC-UHFFFAOYSA-N- Molecular formula
- C11H7NO3
- Average molar mass
- 201.18 g/mol
- Monoisotopic mass
- 201.04259309
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-2-carbonitrile, 5-methoxy-4-oxo-
- IUPAC
- 5-methoxy-4-oxochromene-2-carbonitrile
Names & synonyms
4H-1-Benzopyran-2-carbonitrile, 5-methoxy-4-oxo-BRN 13750345-Methoxy-4-oxo-4H-1-benzopyran-2-carbonitrile33544-11-5DTXSID201872215-18-09-00075 (Beilstein Handbook Reference)RefChem:297153DTXCID30109712SCHEMBL6961672
Database identifiers
- CAS
33544-11-5- PubChem CID
- 214635
- DTXSID
DTXSID20187221
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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