Basic information
- Standard SMILES
C=C(C)C(=O)OCc1cc([N+](=O)[O-])cc(C=O)c1S- InChIKey
XOULTERYDABUGS-UHFFFAOYSA-N- Molecular formula
- C12H11NO5S
- Average molar mass
- 281.29 g/mol
Names & identifiers
- Preferred name
- 3-Methacryloxymethyl-5-nitrothiosalicylaldehyde
- IUPAC
- (3-formyl-5-nitro-2-sulfanylphenyl)methyl 2-methylprop-2-enoate
Names & synonyms
3-methacryloxymethyl-5-nitrothiosalicylaldehydeSCHEMBL8553669XOULTERYDABUGS-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 10945876
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 392
Related reactions
4 records
Compound notes
Loading…