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Basic information
- CAS
22194-39-4- Standard SMILES
CC(=O)Oc1ccccc1C(=O)[O-].NCC(=O)[O-].[Ca+2]- InChIKey
UCWUIXHPAJIGDB-UHFFFAOYSA-L- Molecular formula
- C11H11CaNO6
- Average molar mass
- 293.29 g/mol
- Monoisotopic mass
- 293.0212279
Names & identifiers
- Preferred name
- Aspirin glycine calcium
- IUPAC
- calcium;2-acetyloxybenzoate;2-aminoacetate
Names & synonyms
ASPIRIN GLYCINE CALCIUM22194-39-4UNII-NK259942HJCalcium acetylsalicylate-glycine double saltGlycine-calcium acetylsalicylate double saltNK259942HJCalcium, (glycinato)(salicylato)-, acetate (ester)DTXSID20176731RefChem:115180DTXCID1099222Calcium 2-(acetyloxy)benzoate aminoacetate (1/1/1)Q27284915
Database identifiers
- CAS
22194-39-4- PubChem CID
- 30987
- DTXSID
DTXSID20176731- UNII
- NK259942HJ
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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