![{[CurrentData.Name]}](https://resource.alfachemic.com/structure/207121-42-4.gif)
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;
Molecular Weight
322.399g/mol
Molecular Formula
C3H8BaNO6P;
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
