Basic information
- Standard SMILES
CC1(C)CC(=O)c2c(ccc(O)c2[N+](=O)[O-])O1- InChIKey
WLECNIUOKNQKGD-UHFFFAOYSA-N- Molecular formula
- C11H11NO5
- Average molar mass
- 237.21 g/mol
Names & identifiers
- Preferred name
- 6-Hydroxy-2,2-dimethyl-5-nitro-chroman-4-one
- IUPAC
- 6-hydroxy-2,2-dimethyl-5-nitro-3H-chromen-4-one
Names & synonyms
6-hydroxy-2,2-dimethyl-5-nitro-chroman-4-oneSCHEMBL4458222WLECNIUOKNQKGD-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 9859522
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 348
Related reactions
2 records
Compound notes
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