Barium 2-cyanoethylphosphate hydrate

• CAS: 207121-42-4
• Catalog Number: ACM207121424
• Category: Other Products
• Molecular Weight: 322.399g/mol
• Molecular Formula: C3H8BaNO6P
• Synonyms: ANW-42954; C3H4NO4P.Ba.2H₂O; 2-Cyanoethyl phosphate barium salt dihydrate, >=95.0%; Acm³03137033; 207121-42-4; X7330; Barium 2-cyanoethyl phosphate dihydrate; 2-Cyanoethyl phosphate barium salt hydrate
• IUPAC Name: barium(2+);2-cyanoethyl phosphate;dihydrate
• Canonical SMILES: C(COP(=O)([O-])[O-])C#N.O.O.[Ba+2]
• InChI: InChI=1S/C3H6NO4P.Ba.2H₂O/c4-2-1-3-8-9(5,6)7;;;/h1,3H2,(H2,5,6,7);;2*1H2/q;+2;;/p-2
• InChI Key: SFFRVKYTJRRUNW-UHFFFAOYSA-L
• Complexity: 152
• Covalently-Bonded Unit Count: 4
• Exact Mass: 322.914g/mol
• H-Bond Acceptor: 7
• H-Bond Donor: 2
• Heavy Atom Count: 12
• Monoisotopic Mass: 322.914g/mol
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 98.2A^2