4-Hydroxy-3-methyl-1-benzofuran-2-carbonitrile
Basic information
- CAS
53020-49-8- Standard SMILES
Cc1c(C#N)oc2cccc(O)c12- InChIKey
SHYHFDFFXXQYBN-UHFFFAOYSA-N- Molecular formula
- C10H7NO2
- Average molar mass
- 173.17 g/mol
- Monoisotopic mass
- 173.04767847
Names & identifiers
- Preferred name
- 4-Hydroxy-3-methyl-1-benzofuran-2-carbonitrile
- IUPAC
- 4-hydroxy-3-methyl-1-benzofuran-2-carbonitrile
Names & synonyms
53020-49-84-hydroxy-3-methyl-1-benzofuran-2-carbonitrileNSC171311DTXSID10305639NSC-171311
Database identifiers
- CAS
53020-49-8- PubChem CID
- 298937
- DTXSID
DTXSID10305639
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 245
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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