POTASSIUM FUMARATE

General Information

Mainterm	POTASSIUM FUMARATE
Doc Type	NUL
CAS Reg.No.(or other ID)	7704-72-5
Regnum	172.350

From www.fda.gov

Computed Descriptors

2D Structure
CID	6433511
IUPAC Name	dipotassium;(E)-but-2-enedioate
InChI	InChI=1S/C4H4O4.2K/c5-3(6)1-2-4(7)8;;/h1-2H,(H,5,6)(H,7,8);;/q;2*+1/p-2/b2-1+;;
InChI Key	SHPKCSFVQGSAJU-SEPHDYHBSA-L
Canonical SMILES	C(=CC(=O)[O-])C(=O)[O-].[K+].[K+]
Molecular Formula	C4H2K2O4
Wikipedia	potassium fumarate

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	192.253
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Complexity	108.0
CACTVS Substructure Key Fingerprint	A A A D c Q B g O A A A Y 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 G g A A A A A A C A C A g A A A C A A A A A C I A C D S C A A A A A A A A A A I C A A A A E A A B A A A A A A A E A A A A A A A A Y 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	80.3
Monoisotopic Mass	191.923
Exact Mass	191.923
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	10
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	3

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Dicarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Dicarboxylic acids and derivatives
Alternative Parents	Organic potassium salts Carbonyl compounds Hydrocarbon derivatives Unsaturated fatty acids Organic oxides Carboxylic acids Carboxylic acid salts
Molecular Framework	Aliphatic acyclic compounds
Substituents	Fatty acyl - Fatty acid - Unsaturated fatty acid - Dicarboxylic acid or derivatives - Carboxylic acid salt - Organic alkali metal salt - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.

From ClassyFire