5,6-Dimethoxy-2-nitro-3,4-dihydronaphthalen-1(2H)-one
Basic information
- CAS
59515-97-8- Standard SMILES
COc1ccc2c(c1OC)CCC([N+](=O)[O-])C2=O- InChIKey
KUNWPQPBPDULCI-UHFFFAOYSA-N- Molecular formula
- C12H13NO5
- Average molar mass
- 251.23 g/mol
- Monoisotopic mass
- 251.07937252
Names & identifiers
- Preferred name
- 5,6-Dimethoxy-2-nitro-3,4-dihydronaphthalen-1(2H)-one
- IUPAC
- 5,6-dimethoxy-2-nitro-3,4-dihydro-2H-naphthalen-1-one
Names & synonyms
59515-97-85,6-Dimethoxy-2-nitro-3,4-dihydronaphthalen-1(2H)-oneDTXSID80787125
Database identifiers
- CAS
59515-97-8- PubChem CID
- 71363610
- DTXSID
DTXSID80787125
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 340
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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