CARBASPIRIN CALCIUM
calcium;bis(2-acetyloxybenzoate);urea
| Molecular Formula | C19H18CaN2O9 |
|---|---|
| Molecular Weight | 458.4 g/mol |
| Topological Polar Surface Area | 202.0 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 458.0638 |
| Heavy Atoms | 31 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 5749-67-7 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)[O-].CC(=O)OC1=CC=CC=C1C(=O)[O-].C(=O)(N)N.[Ca+2] |
| InChIKey | VYMUGTALCSPLDM-UHFFFAOYSA-L |
📖 Product Overview
CARBASPIRIN CALCIUM (CAS: 5749-67-7) is a chemical compound with molecular formula C19H18CaN2O9 and molecular weight 458.4 g/mol. Its IUPAC systematic name is calcium;bis(2-acetyloxybenzoate);urea.
VYMUGTALCSPLDM-UHFFFAOYSA-L.
SMILES: CC(=O)OC1=CC=CC=C1C(=O)[O-].CC(=O)OC1=CC=CC=C1C(=O)[O-].C(=O)(N)N.[Ca+2].
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