Compound C22H24N2O6
2-hydroxy-2-oxoacetate;4-[1-(2-phenylethyl)pyrrolidin-1-ium-3-yl]-1,4-benzoxazin-3-one
| Molecular Formula | C22H24N2O6 |
|---|---|
| Molecular Weight | 412.4 g/mol |
| Topological Polar Surface Area | 111.0 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.16342 |
| Heavy Atoms | 30 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 23247-06-5 |
|---|---|
| SMILES | C1C[NH+](CC1N2C(=O)COC3=CC=CC=C32)CCC4=CC=CC=C4.C(=O)(C(=O)[O-])O |
| InChIKey | NKEONMFPIRYHAL-UHFFFAOYSA-N |
📖 Product Overview
Compound C22H24N2O6 (CAS: 23247-06-5) is a chemical compound with molecular formula C22H24N2O6 and molecular weight 412.4 g/mol. Its IUPAC systematic name is 2-hydroxy-2-oxoacetate;4-[1-(2-phenylethyl)pyrrolidin-1-ium-3-yl]-1,4-benzoxazin-3-one.
NKEONMFPIRYHAL-UHFFFAOYSA-N.
SMILES: C1C[NH+](CC1N2C(=O)COC3=CC=CC=C32)CCC4=CC=CC=C4.C(=O)(C(=O)[O-])O.
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