Basic information
- Standard SMILES
CCC(=O)c1c(C)oc2c([N+](=O)[O-])cccc12- InChIKey
DFAFWCVZBWTJBG-UHFFFAOYSA-N- Molecular formula
- C12H11NO4
- Average molar mass
- 233.22 g/mol
Names & identifiers
- Preferred name
- 2-Methyl-7-nitro-3-propionylbenzo[b]furan
- IUPAC
- 1-(2-methyl-7-nitro-1-benzofuran-3-yl)propan-1-one
Names & synonyms
SCHEMBL7816217DFAFWCVZBWTJBG-UHFFFAOYSA-N2-methyl-7-nitro-3-propionylbenzo[b]furan
Database identifiers
- PubChem CID
- 70196763
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 325
Related reactions
2 records
Compound notes
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