MANGANESE NAPHTHENATE

General Information

Mainterm	MANGANESE NAPHTHENATE
CAS Reg.No.(or other ID)	1336-93-2
Regnum	175.300 181.25

From www.fda.gov

Computed Descriptors

2D Structure
CID	25021872
IUPAC Name	manganese(2+);naphthalene-2-carboxylate
InChI	InChI=1S/2C11H8O2.Mn/c212-11(13)10-6-5-8-3-1-2-4-9(8)7-10;/h21-7H,(H,12,13);/q;;+2/p-2
InChI Key	SGGOJYZMTYGPCH-UHFFFAOYSA-L
Canonical SMILES	C1=CC=C2C=C(C=CC2=C1)C(=O)[O-].C1=CC=C2C=C(C=CC2=C1)C(=O)[O-].[Mn+2]
Molecular Formula	C22H14MnO4

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	397.288
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Complexity	195.0
CACTVS Substructure Key Fingerprint	A A A D c c B 4 O 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 w Y M G A A A A A A A D B V A A A G g A A A A A A D A C A m A A w C M A A A A C I A i D S C A A C A A A k A A A I i A E A C M g I J j K A F R C A M Q A k w A E I i Y e I y P C O w A A C A A A Q A A C A A A Q A A C A A A A A A A A A A A A = =
Topological Polar Surface Area	80.3
Monoisotopic Mass	397.027
Exact Mass	397.027
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	27
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	3

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Naphthalenes
Subclass	Naphthalenecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Naphthalenecarboxylic acids
Alternative Parents	Organic transition metal salts Organic cations Hydrocarbon derivatives Organic oxides Organooxygen compounds Carboxylic acids Carboxylic acid salts
Molecular Framework	Not available
Substituents	2-naphthalenecarboxylic acid - Carboxylic acid salt - Organic transition metal salt - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organic cation - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.

From ClassyFire