methyl 6-nitro-1,3-benzodioxole-5-carboxylate
methyl 6-nitro-1,3-benzodioxole-5-carboxylate
| Molecular Formula | C9H7NO6 |
|---|---|
| Molecular Weight | 225.15 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 90.6 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.02734 |
| Heavy Atoms | 16 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 721-00-6 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCO2 |
| InChIKey | OYWDFLIPTKVKKY-UHFFFAOYSA-N |
📖 Product Overview
methyl 6-nitro-1,3-benzodioxole-5-carboxylate (CAS: 721-00-6) is a chemical compound with molecular formula C9H7NO6 and molecular weight 225.15 g/mol. Its IUPAC systematic name is methyl 6-nitro-1,3-benzodioxole-5-carboxylate.
OYWDFLIPTKVKKY-UHFFFAOYSA-N.
SMILES: COC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCO2.
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