SODIUM BISULFATE

General Information

Mainterm	SODIUM BISULFATE
CAS Reg.No.(or other ID)	7681-38-1
Regnum	175.105

From www.fda.gov

Computed Descriptors

2D Structure
CID	516919
IUPAC Name	sodium;hydrogen sulfate
InChI	InChI=1S/Na.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+1;/p-1
InChI Key	WBHQBSYUUJJSRZ-UHFFFAOYSA-M
Canonical SMILES	OS(=O)(=O)[O-].[Na+]
Molecular Formula	NaHSO4
Wikipedia	sodium bisulfate

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	120.054
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Complexity	93.2
CACTVS Substructure Key Fingerprint	A A A D c Q A A O C B 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 C A A A A A A A A A A A A A A A A I A A A A A A A D 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 Area	85.8
Monoisotopic Mass	119.949
Exact Mass	119.949
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	6
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	2

From Pubchem

Taxonomic Classification

Kingdom	Inorganic compounds
Superclass	Mixed metal/non-metal compounds
Class	Alkali metal oxoanionic compounds
Subclass	Alkali metal sulfates
Intermediate Tree Nodes	Not available
Direct Parent	Alkali metal sulfates
Alternative Parents	Inorganic sodium salts Inorganic oxides
Molecular Framework	Not available
Substituents	Alkali metal sulfate - Inorganic sodium salt - Inorganic oxide - Inorganic salt
Description	This compound belongs to the class of inorganic compounds known as alkali metal sulfates. These are inorganic compounds in which the largest oxoanion is sulfate, and in which the heaviest atom not in an oxoanion is an alkali metal.

From ClassyFire