Basic information
- Standard SMILES
COc1cc(C=C[N+](=O)[O-])cc2c1OC(C)(C)C2- InChIKey
HTCQQVGAKCUMEK-UHFFFAOYSA-N- Molecular formula
- C13H15NO4
- Average molar mass
- 249.26 g/mol
Names & identifiers
- Preferred name
- 2,3-Dihydro-7-methoxy-2,2-dimethyl-5-(2-nitroethenyl)benzofuran
- IUPAC
- 7-methoxy-2,2-dimethyl-5-(2-nitroethenyl)-3H-1-benzofuran
Names & synonyms
SCHEMBL5783546HTCQQVGAKCUMEK-UHFFFAOYSA-N2,3-Dihydro-7-methoxy-2,2-dimethyl-5-(2-nitroethenyl)benzofuran
Database identifiers
- PubChem CID
- 69564005
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 347
Related reactions
1 records
Compound notes
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