Basic information
- CAS
101651-81-4- Standard SMILES
CC(CC1(O)C(=O)Nc2ccccc21)[N+](=O)[O-]- InChIKey
WIUXNDSUNCYWHC-UHFFFAOYSA-N- Molecular formula
- C11H12N2O4
- Average molar mass
- 236.22 g/mol
- Monoisotopic mass
- 236.07970687
Names & identifiers
- Preferred name
- 2-Indolinone, 3-hydroxy-3-(2-nitropropyl)-
- IUPAC
- 3-hydroxy-3-(2-nitropropyl)-1H-indol-2-one
Names & synonyms
101651-81-42-INDOLINONE, 3-HYDROXY-3-(2-NITROPROPYL)-RefChem:10635203-Hydroxy-3-(2-nitropropyl)-2-indolinone3-(beta-Hydroxy-alpha-methylnitroethyl) oxindoleDTXSID309064453-(2-Nitropropyl)-3H-indole-2,3-diol
Database identifiers
- CAS
101651-81-4- PubChem CID
- 58650
- DTXSID
DTXSID30906445
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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