Basic information
- CAS
5344-66-1- Standard SMILES
O=C(O)CN(CC(=O)O)Cc1ccccc1.[Ba+2]- InChIKey
GDRWIAHJXMCRCE-UHFFFAOYSA-N- Molecular formula
- C11H13BaNO4+2
- Average molar mass
- 360.55 g/mol
- Monoisotopic mass
- 360.989705
Names & identifiers
- Preferred name
- (Benzylimino)diacetic acid, barium salt
- IUPAC
- barium(2+);2-[benzyl(carboxymethyl)amino]acetic acid
Names & synonyms
(BENZYLIMINO)DIACETIC ACID, BARIUM SALTNSC1144NSC-1144
Database identifiers
- CAS
5344-66-1- PubChem CID
- 54599271
Properties
Computed structural properties
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 2
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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