Basic information
- CAS
2399-83-9- Standard SMILES
O=C([O-])CN(CC(=O)[O-])CC(=O)O.[Ba+2]- InChIKey
PEGYDTBPLQZCSP-UHFFFAOYSA-L- Molecular formula
- C6H7BaNO6
- Average molar mass
- 326.45 g/mol
- Monoisotopic mass
- 326.932584
Names & identifiers
- Preferred name
- Glycine, N,N-bis(carboxymethyl)-, barium salt (1:1)
- IUPAC
- barium(2+);2-[carboxylatomethyl(carboxymethyl)amino]acetate
Names & synonyms
Glycine, N,N-bis(carboxymethyl)-, barium salt (1:1)2399-83-9DTXSID20178710Barium [(carboxylatomethyl)(carboxymethyl)amino]acetate
Database identifiers
- CAS
2399-83-9- PubChem CID
- 61315
- DTXSID
DTXSID20178710
Properties
Computed structural properties
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 198
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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