General Information

MaintermFerrous ammonium phosphate
CAS Reg.No.(or other ID)10101-60-7
Regnum

From www.fda.gov

Computed Descriptors

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2D Structure
CID165813
IUPAC Nameazanium;iron(2+);phosphate
InChIInChI=1S/Fe.H3N.H3O4P/c;;1-5(2,3)4/h;1H3;(H3,1,2,3,4)/q+2;;/p-2
InChI KeyPTZOLXYHGCJRHA-UHFFFAOYSA-L
Canonical SMILES[NH4+].[O-]P(=O)([O-])[O-].[Fe+2]
Molecular FormulaFeH4NO4P

From Pubchem


Computed Properties

Property Name Property Value
Molecular Weight168.854
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Complexity36.8
CACTVS Substructure Key Fingerprint A A A D c Y A C O A I A A A A g A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A Q A C A A A A A A A A A A A A A A A B A A Q A A A A I A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = =
Topological Polar Surface Area87.2
Monoisotopic Mass168.923
Exact Mass168.923
Compound Is CanonicalizedTrue
Formal Charge0
Heavy Atom Count7
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count3

From Pubchem