MANGANESE CITRATE

General Information

Mainterm	MANGANESE CITRATE
Doc Type	NUL
CAS Reg.No.(or other ID)	10024-66-5
Regnum	182.5449 184.1449

From www.fda.gov

Computed Descriptors

2D Structure
CID	9937209
IUPAC Name	2-hydroxypropane-1,2,3-tricarboxylate;manganese(2+)
InChI	InChI=1S/2C6H8O7.3Mn/c27-3(8)1-6(13,5(11)12)2-4(9)10;;;/h213H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6
InChI Key	OAVRWNUUOUXDFH-UHFFFAOYSA-H
Canonical SMILES	C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Mn+2].[Mn+2].[Mn+2]
Molecular Formula	C12H10Mn3O14
Wikipedia	citric acid, manganese salt

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	543.012
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	4
Complexity	211.0
CACTVS Substructure Key Fingerprint	A A A D c c B w P A A A A A 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 G g A A C A A A D E S A g A A A C A A A A g A I A A C Q C A I A A A A A A A A A A A F A A A A B A B Y A A A A A Q A A F I A A B A A D L J g A K 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	281.0
Monoisotopic Mass	542.821
Exact Mass	542.821
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	29
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	5

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Tricarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Tricarboxylic acids and derivatives
Alternative Parents	Organic transition metal salts Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic cations Carboxylic acids Tertiary alcohols Carboxylic acid salts
Molecular Framework	Not available
Substituents	Tricarboxylic acid or derivatives - Tertiary alcohol - Carboxylic acid salt - Organic transition metal salt - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Alcohol - Organic cation - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.

From ClassyFire