Basic information
- Standard SMILES
CC1(C)C=Cc2c([N+](=O)[O-])ccc(C#N)c2O1- InChIKey
YVQQRWYDJGHYKF-UHFFFAOYSA-N- Molecular formula
- C12H10N2O3
- Average molar mass
- 230.22 g/mol
- Monoisotopic mass
- 230.06914219
Names & identifiers
- Preferred name
- 2,2-Dimethyl-5-nitro-2H-chromene-8-carbonitrile
- IUPAC
- 2,2-dimethyl-5-nitrochromene-8-carbonitrile
Names & synonyms
2,2-Dimethyl-5-nitro-2H-chromene-8-carbonitrileSCHEMBL2960809YVQQRWYDJGHYKF-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 59754238
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 402
Related reactions
6 records
Compound notes
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