MAGNESIUM NAPHTHENATE

General Information

Mainterm	MAGNESIUM NAPHTHENATE
CAS Reg.No.(or other ID)	68424-71-5
Regnum	175.300

From www.fda.gov

Computed Descriptors

2D Structure
CID	21264818
IUPAC Name	magnesium;naphthalene-2-carboxylate
InChI	InChI=1S/2C11H8O2.Mg/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	OFUAIAKLWWIPTC-UHFFFAOYSA-L
Canonical SMILES	C1=CC=C2C=C(C=CC2=C1)C(=O)[O-].C1=CC=C2C=C(C=CC2=C1)C(=O)[O-].[Mg+2]
Molecular Formula	C22H14MgO4
Wikipedia	magnesium naphthenate

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	366.655
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 C A 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	366.074
Exact Mass	366.074
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 cations Hydrocarbon derivatives Organic oxides Organooxygen compounds Carboxylic acids Organic salts Carboxylic acid salts
Molecular Framework	Not available
Substituents	2-naphthalenecarboxylic acid - Carboxylic acid 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