5,6-Dimethoxy-4-nitro-2,3-dihydroinden-1-one
Basic information
- CAS
627518-42-7- Standard SMILES
COc1cc2c(c([N+](=O)[O-])c1OC)CCC2=O- InChIKey
WWICAAWMGQARAI-UHFFFAOYSA-N- Molecular formula
- C11H11NO5
- Average molar mass
- 237.21 g/mol
- Monoisotopic mass
- 237.06372245
Names & identifiers
- Preferred name
- 5,6-Dimethoxy-4-nitro-2,3-dihydroinden-1-one
- IUPAC
- 5,6-dimethoxy-4-nitro-2,3-dihydroinden-1-one
Names & synonyms
627518-42-7SCHEMBL3081511DTXSID1012380792,3-Dihydro-5,6-dimethoxy-4-nitro-1H-inden-1-one5,6-Dimethoxy-4-nitro-2,3-dihydro-1H-inden-1-one
Database identifiers
- CAS
627518-42-7- PubChem CID
- 18445683
- DTXSID
DTXSID101238079
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 326
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Compound notes
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